CN109411032A - The functional component appraisal procedure and machine readable storage medium of edible medicinal plant - Google Patents
The functional component appraisal procedure and machine readable storage medium of edible medicinal plant Download PDFInfo
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Abstract
The embodiment of the present invention provides the functional component appraisal procedure and machine readable storage medium of a kind of edible medicinal plant, the functional component assessment technology field for belonging to edible medicinal plant solves the problems, such as effectively identify the functional component that given efficacy is directed in edible medicinal plant in the prior art.The described method includes: obtaining the relevant information of edible medicinal plant to be assessed and the health problem of quasi- research；According to the relevant information of the edible medicinal plant to be assessed, the health problem of the quasi- research and default assessment models corresponding with the edible medicinal plant to be assessed, the functional component for the health problem for being directed to the quasi- research for including in the edible medicinal plant to be assessed is obtained.The process of functional component of the embodiment of the present invention suitable for analyzing the health problem for being directed to quasi- research for including edible medicinal plant.
Description
Technical field
The present invention relates to the functional component assessment technology fields of edible medicinal plant, more particularly to a kind of edible medicinal plant
Functional component appraisal procedure and machine readable storage medium.
Background technique
With social development, there are many and nutritionally relevant health problems.Nutritious and healthy food facilitates reduction by one
The risk of part chronic disease.But the presently commercially available generally existing efficacy effect of nutrient health product is unstable, quality is uncontrollable
The problem of, it is difficult to win the confidence consumer.To find out its cause, being the failure to do scientific definition to functional component, in raw material selection, processing, storage
Lack standardization foundation during hiding etc..
Research for functional component, the prior art focus in the separation and identification of single active ingredient, can not be effective
Identify the composition of the functional component of complex system.
Summary of the invention
The purpose of the embodiment of the present invention is that providing a kind of functional component appraisal procedure of edible medicinal plant and machine readable depositing
Storage media solves the problems, such as effectively identify the functional component that given efficacy is directed in edible medicinal plant in the prior art,
Provide the functional component that specific health effect is played in edible medicinal plant.
To achieve the goals above, the embodiment of the present invention provides a kind of functional component appraisal procedure of edible medicinal plant, institute
The method of stating includes: the relevant information for obtaining edible medicinal plant to be assessed and the health problem of quasi- research；According to described to be assessed
The relevant information of edible medicinal plant, the health problem of the quasi- research and corresponding pre- with the edible medicinal plant to be assessed
If assessment models, the function for the health problem for being directed to the quasi- research for including in the edible medicinal plant to be assessed is obtained
Ingredient.
Further, default assessment models corresponding with the edible medicinal plant to be assessed pass through following manner and establish: inspection
Rope obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；It is planted according to the edible medicinal to be assessed
The type of object and specified functional component, statistics obtain quantity of document that the specified functional component is related to and its in corresponding types
The quantity of document retrieved of the edible medicinal plant to be assessed in the first shared ratio and the food medicine to be assessed
The quantity of document and its quantity of document retrieved in the health problem of the quasi- research being related to the different type of plant
In shared the second ratio；According to first ratio and the second ratio, obtain corresponding with the edible medicinal plant to be assessed
The association assessment models of the health problem of the edible medicinal plant to be assessed, functional component and quasi- research.
Further, default assessment models corresponding with the edible medicinal plant to be assessed pass through following manner and establish: root
According to the health problem of quasi- research, pathology access and corresponding known treatment drug ingedient, activity rating model is established；According to institute
Activity rating model is stated, the edible medicinal plant to be assessed and/or the living features scoring of its specified functional component are obtained；It obtains
The content of functional component is specified described in the edible medicinal plant to be assessed；According to the edible medicinal plant to be assessed and/or its
The living features scoring of specified functional component and the content of the specified functional component obtain planting with the edible medicinal to be assessed
Object corresponding edible medicinal plant, functional component and the association assessment models for intending the health problem studied to be assessed.
Further, default assessment models corresponding with the edible medicinal plant to be assessed pass through following manner and establish: benefit
With molecular docking software, target protein and active site according to known to structure obtain specifying in the edible medicinal plant to be assessed
Conjugated free energy between functional component and the target protein；According to PostgreSQL database DAG, the target protein and quasi- research are obtained
Health problem between association；According to the target protein, obtain corresponding described to be evaluated with the edible medicinal plant to be assessed
Estimate the association assessment models of the health problem of edible medicinal plant, functional component and quasi- research.
Further, default assessment models corresponding with the edible medicinal plant to be assessed pass through following manner and establish: inspection
Rope obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；It is planted according to the edible medicinal to be assessed
The type of object and specified functional component, statistics obtain quantity of document that the specified functional component is related to and its in corresponding types
The quantity of document retrieved of the edible medicinal plant to be assessed in shared ratio；According to the ratio and corresponding
Preset ratio range determines the specific function ingredient in the edible medicinal plant to be assessed；According to the health problem of quasi- research, disease
Access and corresponding known treatment drug ingedient are managed, activity rating model is established；According to the activity rating model, institute is obtained
State the living features scoring of edible medicinal plant to be assessed and/or the specific function ingredient；The edible medicinal to be assessed is obtained to plant
The content of specific function ingredient described in object；According to the work of the edible medicinal plant to be assessed and/or the specific function ingredient
Property feature scoring and the specified functional component content, obtain corresponding described to be evaluated with the edible medicinal plant to be assessed
Estimate the association assessment models of the health problem of edible medicinal plant, functional component and quasi- research.
Further, default assessment models corresponding with the edible medicinal plant to be assessed pass through following manner and establish: inspection
Rope obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；It is planted according to the edible medicinal to be assessed
The type of object and specified functional component, statistics obtain quantity of document that the specified functional component is related to and its in corresponding types
The quantity of document retrieved of the edible medicinal plant to be assessed in shared ratio；According to the ratio and corresponding
Preset ratio range determines the specific function ingredient in the edible medicinal plant to be assessed；Using molecular docking software, according to knot
Target protein and active site known to structure obtain specific function ingredient described in the edible medicinal plant to be assessed and the target egg
Conjugated free energy between white；According to PostgreSQL database DAG, the pass between the target protein and the health problem of quasi- research is obtained
Connection；According to the target protein, obtain the edible medicinal plant to be assessed corresponding with the edible medicinal plant to be assessed, function at
Divide and intend the association assessment models for the health problem studied.
Further, default assessment models corresponding with the edible medicinal plant to be assessed pass through following manner and establish: root
According to the health problem of quasi- research, pathology access and corresponding known treatment drug ingedient, activity rating model is established；According to institute
Activity rating model is stated, the edible medicinal plant to be assessed and/or the living features scoring of its specified functional component are obtained；It obtains
The content of functional component is specified described in the edible medicinal plant to be assessed；According to the edible medicinal plant to be assessed and/or institute
It states living features scoring, the content of the specified functional component and the corresponding default scoring range of specified functional component, contain
Range is measured, determines the specific function ingredient in the edible medicinal plant to be assessed；Using molecular docking software, according to known to structure
Target protein and active site, obtain the Conjugated free energy between the specific function ingredient and the target protein；According to open source
Database D AG obtains being associated between the target protein and the health problem of quasi- research；According to the target protein, obtain and institute
State edible medicinal plant to be assessed corresponding edible medicinal plant, functional component and the pass for intending the health problem studied to be assessed
Join assessment models.
Further, default assessment models corresponding with the edible medicinal plant to be assessed pass through following manner and establish: inspection
Rope obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；It is planted according to the edible medicinal to be assessed
The type of object and specified functional component, statistics obtain quantity of document that the specified functional component is related to and its in corresponding types
The quantity of document retrieved of the edible medicinal plant to be assessed in shared ratio；According to the ratio and corresponding
Preset ratio range determines the specific function ingredient in the edible medicinal plant to be assessed；According to the health problem of quasi- research, disease
Access and corresponding known treatment drug ingedient are managed, activity rating model is established；According to the activity rating model, institute is obtained
State the living features scoring of edible medicinal plant to be assessed and/or the specific function ingredient；The edible medicinal to be assessed is obtained to plant
The content of specific function ingredient described in object；According to the work of the edible medicinal plant to be assessed and/or the specific function ingredient
Property feature scoring, the specified functional component content and corresponding default scoring range, content range, determine described to be evaluated
Estimate the functional component to be estimated in edible medicinal plant；Using molecular docking software, target protein and active site according to known to structure,
Obtain the Conjugated free energy described in the edible medicinal plant to be assessed between functional component to be estimated and the target protein；According to opening
Source database DAG obtains being associated between the target protein and the health problem of quasi- research；According to the target protein, obtain with
The health problem of the corresponding edible medicinal plant to be assessed of the edible medicinal plant to be assessed, functional component and quasi- research
It is associated with assessment models.
Further, the functional component for obtaining the edible medicinal plant to be assessed includes: to obtain the food to be assessed
The functional component of medicinal plant and its reducible disease risks.
Correspondingly, the embodiment of the present invention also provides a kind of machine readable storage medium, deposited on the machine readable storage medium
Instruction is contained, which is used for so that machine executes the functional component appraisal procedure of edible medicinal plant described above.
Through the above technical solutions, in the health problem of the relevant information and quasi- research that obtain edible medicinal plant to be assessed
Later, according to the relevant information of the edible medicinal plant to be assessed, the health problem of the quasi- research and with it is described to be assessed
The corresponding default assessment models of edible medicinal plant, obtain including in the edible medicinal plant to be assessed is directed to described quasi- grind
The functional component for the health problem studied carefully.The embodiment of the present invention solves and can not effectively identify needle in edible medicinal plant in the prior art
The problem of to the functional component of given efficacy, provides the functional component that specific health effect is played in edible medicinal plant, these
Functional component as functional food or is developed further into the key controlled needed for functional food as edible medicinal plant
Element and finished product play the material base of corresponding health benefit.
The other feature and advantage of the embodiment of the present invention will the following detailed description will be given in the detailed implementation section.
Detailed description of the invention
Attached drawing is to further understand for providing to the embodiment of the present invention, and constitute part of specification, under
The specific embodiment in face is used to explain the present invention embodiment together, but does not constitute the limitation to the embodiment of the present invention.Attached
In figure:
Fig. 1 is a kind of flow diagram of the functional component appraisal procedure of edible medicinal plant provided in an embodiment of the present invention；
Fig. 2 be the quantity of document that specified functional component provided in an embodiment of the present invention is related to and its described in the corresponding types
The example table of the first shared ratio in the quantity of document that edible medicinal plant to be assessed is retrieved；
Fig. 3 be the quantity of document that is related to of the different type of the edible medicinal plant to be assessed provided in an embodiment of the present invention with
The example table of its shared the second ratio in the quantity of document that the health problem of the quasi- research is retrieved；
Fig. 4 is the function that tealeaves improves glycometabolism in " functional characteristics-chemical characterization " provided in an embodiment of the present invention description
Composition Study data instance；
Fig. 5 is that mass-spectrometric technique provided in an embodiment of the present invention combines stoichiometric chemistry method, the tealeaves of molecular docking method changes
Kind function carbohydrate metabolism composition Study data instance；
Fig. 6 is flavone compound provided in an embodiment of the present invention compared with the access that non-flavonoids polyphenolic substance acts on
Example；
Fig. 7 be it is provided in an embodiment of the present invention the first, the default assessment mould established of second and fifth procedure
Type, the result comparative example figure of obtained functional component；
Fig. 8 is the default assessment models that the first and the 7th kind of mode provided in an embodiment of the present invention are established, and is obtained
Functional component result comparative example figure.
Specific embodiment
It is described in detail below in conjunction with specific embodiment of the attached drawing to the embodiment of the present invention.It should be understood that this
Locate described specific embodiment and be merely to illustrate and explain the present invention embodiment, is not intended to restrict the invention embodiment.
It is directed to edible medicinal plant and nutritionally relevant health problem, is required to the demonstration repeatedly of experimental data.And it only leans on
The data in one laboratory, it is difficult to describe the problem.With the development of information technology, can be carried out by high resolution mass spectrum data based on
Chemical analysis is measured, and the features such as Ingredients Active, metabolism are predicted according to chemical structure.Meanwhile it can be from using text mining method
Multi-party research information is obtained in the document delivered to be proved and predicted.The application of big data is nutritious and healthy food research and development
Inexorable trend.The embodiment of the present invention exactly using existing known computer crawler, high resolution mass spectrum analysis, activity rating,
The technologies such as statistical analysis analyze influence of the functional component in edible medicinal plant for specific health problem.Pass through a variety of points
The superposition of analysis method uses, for the functional component and its composition characteristic for repeating to be able to verify in distinct methods, it is believed that have
Higher confidence level, the conclusion obtained better than a kind of method.Specific embodiment is described more fully below.
Fig. 1 is a kind of flow diagram of the functional component appraisal procedure of edible medicinal plant provided in an embodiment of the present invention.
As shown in Figure 1, described method includes following steps:
Step 101, the relevant information of edible medicinal plant to be assessed and the health problem of quasi- research are obtained；
Step 102, according to the relevant information of the edible medicinal plant to be assessed, the health problem of the quasi- research and
Default assessment models corresponding with the edible medicinal plant to be assessed, obtain the needle for including in the edible medicinal plant to be assessed
For the functional component of the health problem of the quasi- research.
Wherein, the relevant information of the edible medicinal plant to be assessed can be the title of the edible medicinal plant to be assessed,
Such as tea, the health problem of the quasi- research can be certain disease name, such as diabetes.Utilizing the default assessment mould
Type, the functional component and its reducible disease risks of the available edible medicinal plant to be assessed.
It, can by following for default assessment models corresponding with the edible medicinal plant to be assessed in step 102
Several ways are established:
The first, is to utilize Text Mining Technology:
1) retrieval obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；
2) according to the type and specified functional component of the edible medicinal plant to be assessed, statistics obtains the specified function
Quantity of document that ingredient is related to and its in the quantity of document that the edible medicinal plant to be assessed of corresponding types is retrieved
Quantity of document that the different type of shared the first ratio and the edible medicinal plant to be assessed is related to and its quasi- ground described
The second shared ratio in the quantity of document that the health problem studied carefully is retrieved；
3) it according to first ratio and the second ratio, obtains corresponding described to be evaluated with the edible medicinal plant to be assessed
Estimate the association assessment models of the health problem of edible medicinal plant, functional component and quasi- research.
For example, the relevant information of the edible medicinal plant to be assessed is tea, the health problem of the quasi- research is diabetes,
Using data mining technology, with " tea (tea) " and " diabetes (diabetes) " for keyword, in https: //
Www.ncbi.nlm.nih.gov/pubmed/ retrieves research paper relevant to tea and diabetes, and obtains corresponding document.
Keyword of the computer according to offers such as tea type, specified functional components, the text based on document, to every research paper
Carry out interpretive analysis.When tea type is " green tea ", " white tea ", " oolong tea ", " black tea ", " dark green tea " and specified function at
Whens being divided into " tea polyphenols ", " theaflavin ", " thearubigin " etc., the document number containing above- mentioned information in the document that is excavated, such as Fig. 2 institute
Show.By taking the tea polyphenols of green tea as an example, article distribution is counted as follows:
What a certain specified functional component of the first ratio=green tea that a certain specified functional component of green tea improves diabetes was related to
The total quantity of document of quantity of document/green tea
According to existing Research Literature, different types of tealeaves improves the main functional component (pressing importance ranking) of diabetes
Are as follows: (1) green tea: catechin in tea polyphenols is main functional component, wherein again with epigallocatechin (EGC,
Epigallocatechin) and gallate (EGCG, epigallocatechingallate) is most important, followed by coffee
Coffee because.(2) white tea: catechin is the main functional component paid close attention to so far.(3) oolong tea: catechin in tea polyphenols,
Theaflavin and thearubigin and gallic acid are the functional components that oolong tea improves that diabetes should be paid close attention to.(4) black tea: tea is more
Catechin, theaflavin and thearubigin in phenol are the functional component that black tea improves that diabetes should be paid close attention to, theanine and gallic acid
Also certain concern is obtained.(5) dark green tea: tea polyphenols, caffeine and tea polysaccharide are the functional components that dark green tea improves diabetes.
Catechin is for green tea, white tea, and for oolong tea, black tea, tea polysaccharide is it for dark green tea for theaflavin, thearubigin
It is different from the featured function ingredient of other tea types.Catechin is significant for different tea types, but anticipates for green tea
Justice is especially big.
In the same way, as shown in figure 3, obtaining the quantity of document and prevent or improve glycosuria that different tea types are related to
Second ratio of the pertinent literature of disease.The result shows that most types of tealeaves research concern diabetes B and its related disease
Shape.Green tea is for insulin system, and white tea is for prediabetes, and oolong tea, black tea are for postprandial blood sugar, and dark green tea is for postprandial
Blood glucose and insulin system are the different focus that different tea types improve diabetes at present, prompt its mechanism of action to exist poor
It is different.Fig. 2 and data shown in Fig. 3 are associated subdivision, obtain the association assessment mould of tealeaves, functional component and diabetes
Type.And further prompted in the functional component of different tealeaves, being associated with for catechin and insulin function should be paid close attention to；Tea is yellow
Element, thearubigin are associated with postprandial blood sugar.The difference of tealeaves functional component is that different tea types are preventing or improving diabetes
When, there are different mechanisms, adapt to the reason of different crowd.
In addition, the shapes such as web search, database retrieval, literature search can also be passed through when carrying out text mining
Formula, using the title of edible medicinal plant, specified functional component, functional character, research type etc. as keyword, from global open letter
Breath obtains global edible medicinal plant and relative article name of product, function description, function name/English name, product classification, target person
Group, be not suitable for crowd, usage amount, use scope, regulation status, domestic Patent, the domestic patent No., foreign patent situation,
The information such as foreign patent number and edible medicinal plant and relative article functional component title, chemical structure information, bioactivity mark
The information such as knowledge and link, drug Bank Number, source, activity, toxicity, Absorption And Metabolism property, mechanism of action, regulation.It is above-mentioned to disappear
Breath can be used as the locally stored database of essential information, provides data for association assessment models and supports.
Wherein, when handling above- mentioned information, Chrome browser is used one by one using web crawlers controller
It sends and requests and obtain the character string result of pertinent literature details.Specified functional component keyword, utilizes web crawlers solution
Parser judges that whether each document contains particular keywords, the information obtained from stores after carrying out structuring processing
Into local data base.
In edible medicinal plant to be assessed, functional component and the quasi- health problem studied obtained using first way
It is associated with after assessment models, in the relevant information for getting edible medicinal plant to be assessed and the health problem of quasi- research, i.e.,
The functional component for the health problem for being directed to the quasi- research for including in the edible medicinal plant to be assessed can be obtained.
Second, be that " functional characteristics-chemical characterization " is utilized to describe:
1) it according to health problem, pathology access and the corresponding known treatment drug ingedient of quasi- research, establishes activity and comments
Valence model；
2) it according to the activity rating model, obtains the edible medicinal plant to be assessed and/or it specifies functional component
Living features scoring；
3) content that functional component is specified described in the edible medicinal plant to be assessed is obtained；
4) according to the living features scoring of the edible medicinal plant to be assessed and/or its specified functional component and the finger
The content for determining functional component, obtain the edible medicinal plant to be assessed corresponding with the edible medicinal plant to be assessed, function at
Divide and intend the association assessment models for the health problem studied.
Wherein, for the health problem of quasi- research, from physiology, medicine, the angle analysis of biology its pathology access.Needle
To the key link as known treatment drug ingedient and functional components screening target spot, with enzyme biochemical test, animal mould
The forms such as type establish activity rating model.Using the edible medicinal plant to be assessed and/or its specified functional component as research
Object is tested with the activity rating model, describes living features, and obtains living features scoring.For example, quasi- research
Edible medicinal plant is directed to the maximum inhibition of certain enzyme, to the improvement degree etc. of the indexs such as animal blood glucose, blood lipid.Activity characteristic
Description can be quantitative data, be also possible to carry out assigning a point later result to Semi-qualitative and qualitative result.Then, it utilizes
The experimental method of Laboratory Standard, which detects to obtain, specifies the content of functional component (fixed described in the edible medicinal plant to be assessed
Quantity research), it is desirable that accomplish to stablize between batch, as a result repeat.Or the non-target using high resolution mass spectrum combination metrology method
To screening technology, content (qualitative research or the semidefinite that functional component is specified described in the edible medicinal plant to be assessed are identified
Quantity research).
Furthermore it is also possible to be utilized for the content and living features data of Semi-qualitative or qualitative specified functional component
PCA method finds differences compound matter, and by substance and active association analysis, prediction becomes with the consistent compound in activity change direction
Change feature.To obtain the edible medicinal plant to be assessed corresponding with the edible medicinal plant to be assessed, functional component and
The association assessment models of the health problem of quasi- research.
By taking black tea as an example.The digestion and absorption for reducing starch are one of pathology accesses of function of stabilizing body blood sugar after meal.Phlorose
Glycosides enzyme, alpha-amylase are main starch digesting enzymes；DPP-4 enzyme then inactivate glucagon-like peptide -1 (GLP-1) and glucose according to
Rely property insulin secretion accelerating polypeptide (GIP).Therefore, alpha-glucosidase and DPP-4 enzyme are the main targets of diabetes medicament exploitation
Point；Alpha-amylase is then field of food major target class related with glycometabolism health research.Carry out enzyme biochemical test, obtains activity
Data, and carry out living features scoring.Meanwhile detecting Tea Polyphenols in Tea, catechin, theaflavin, thearubigin, theabrownin, tea
Functional component is specified in the tealeaves such as polysaccharide, tea flavones, gallic acid, caffeine.Using statistical analysis method, black tea tune is analyzed
Postprandial blood sugar functional component is saved, obtains assessing mould with being associated with for the health problem of tealeaves, functional component and function of stabilizing body blood sugar after meal
Type.As shown in figure 4, the synergistic effect of catechin and theaflavin in black tea is most important factor in terms of adjusting blood glucose；Coffee
Coffee because and thearubigin be also active constituent.
In the pass of the health problem of the tealeaves, functional component and the function of stabilizing body blood sugar after meal that are obtained using the above-mentioned second way
It is strong such as black tea and quasi- research when the relevant information for getting certain type of tealeaves, such as title after joining assessment models
Kang Wenti, as function of stabilizing body blood sugar after meal health problem when, can be obtained include in black tea be directed to the strong of function of stabilizing body blood sugar after meal
The functional component of Kang Wenti, catechin and theaflavin.
The third, is combined using molecular docking with network pharmacology:
1) retrieval obtains the functional component information of quasi- research edible medicinal plant, and logical in the physiology of quasi- research health problem
The latent effect target spot of road, using molecular docking software, target protein and active site according to known to structure, obtain it is described to
Assess the Conjugated free energy specified between functional component and the target protein in edible medicinal plant；
2) according to PostgreSQL database DAG, being associated between the target protein and the health problem of quasi- research is obtained；
3) it according to the target protein, obtains the edible medicinal to be assessed corresponding with the edible medicinal plant to be assessed and plants
The association assessment models of the health problem of object, functional component and quasi- research.
Wherein, target protein and active site known to structure are being based on using molecular dockings softwares such as DOCK, AutoDock
Equal relevant natures select that functional component and target protein is specified to carry out virtual active evaluation in the edible medicinal plant to be assessed, comment
Estimate the interaction of the specified functional component and target protein, predicts possible knot between the specified functional component and target protein
Coincidence point, in conjunction with Stable conformation and Conjugated free energy.Furthermore it is also possible to realize that specified functional component and target protein interact
Visualization and analysis of the molecular structure.
On the basis of molecular docking, the specified functional component that most possibly interacts and target protein are selected, using opening
Source database DAG acquisition target protein is associated with the health problem of quasi- research." functional component-disease is analyzed with Cytoscape software
The related network of disease-target spot ", while establishing the health problem of the edible medicinal plant to be assessed, functional component and quasi- research
Association assessment models.
By taking green tea as an example, pay close attention to glycometabolism health it is relevant target spot 10, wherein there is the source of people target of structural information
5 (α-glucosidase, DPP4, GLP-1R, pancreatica α-amylase, SGLT-2) of point.Arrange green tea characteristic
Separation structure is studied, obtains free energy of the chemical component in conjunction with target protein using molecular docking.According to " having with multiple target proteins
Stronger binding ability " and " stronger for single target protein binding ability " are ranked up tea chemistry component, and finishing screen is selected
The main functional component that (being chosen according to score value) may influence glycometabolism is catechin ingredient.It is commented using network pharmacology method
Estimate the disease pathway that catechin may act on, it is mainly related to insulin adjusting.
It is asked by the health of the above-mentioned edible medicinal plant to be assessed obtained in the way of the third, functional component and quasi- research
After the association assessment models of topic, in the relevant information for getting edible medicinal plant to be assessed and the health problem of quasi- research
When, the functional component for the health problem for being directed to the quasi- research for including in the edible medicinal plant to be assessed can be obtained.
By taking green tea as an example, after getting the health problem of green tea and glycometabolism, can be obtained include in green tea be directed to sugared generation
The functional component for the health problem thanked, such as catechin.
4th kind, be to combine the first and the second way:
1) retrieval obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；
2) according to the type and specified functional component of the edible medicinal plant to be assessed, statistics obtains the specified function
Quantity of document that ingredient is related to and its in the quantity of document that the edible medicinal plant to be assessed of corresponding types is retrieved
Shared ratio；
3) it according to the ratio and corresponding preset ratio range, determines specific in the edible medicinal plant to be assessed
Functional component；
4) it according to health problem, pathology access and the corresponding known treatment drug ingedient of quasi- research, establishes activity and comments
Valence model；
5) according to the activity rating model, the edible medicinal plant to be assessed and/or the specific function ingredient are obtained
Living features scoring；
6) content of specific function ingredient described in the edible medicinal plant to be assessed is obtained；
7) according to the living features of the edible medicinal plant to be assessed and/or the specific function ingredient scoring and it is described
The content of specified functional component obtains the edible medicinal plant to be assessed corresponding with the edible medicinal plant to be assessed, function
The association assessment models of ingredient and the health problem of quasi- research.
Wherein it is possible to by specific function ingredient obtained in first way, it is active as being determined in the second way
The foundation of feature scoring and chemical analysis, specific implementation step can refer in described in above-mentioned the first and the second way
Hold.
5th kind, be to combine the first with the third mode:
1) retrieval obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；
2) according to the type and specified functional component of the edible medicinal plant to be assessed, statistics obtains the specified function
Quantity of document that ingredient is related to and its in the quantity of document that the edible medicinal plant to be assessed of corresponding types is retrieved
Shared ratio；
3) it according to the ratio and corresponding preset ratio range, determines specific in the edible medicinal plant to be assessed
Functional component；
4) molecular docking software is utilized, target protein and active site according to known to structure obtain the food medicine to be assessed
Conjugated free energy between specific function ingredient and the target protein described in plant；
5) according to PostgreSQL database DAG, being associated between the target protein and the health problem of quasi- research is obtained；
6) it according to the target protein, obtains the edible medicinal to be assessed corresponding with the edible medicinal plant to be assessed and plants
The association assessment models of the health problem of object, functional component and quasi- research.
Wherein it is possible to determine and combined certainly as the third mode by specific function ingredient obtained in first way
By can foundation, specific implementation step can refer to content described in above-mentioned the first and the third mode.
6th kind, be that second is combined with the third mode:
1) it according to health problem, pathology access and the corresponding known treatment drug ingedient of quasi- research, establishes activity and comments
Valence model；
2) it according to the activity rating model, obtains the edible medicinal plant to be assessed and/or it specifies functional component
Living features scoring；
3) content that functional component is specified described in the edible medicinal plant to be assessed is obtained；
4) according to the scoring of the living features of the edible medicinal plant to be assessed and/or the specified functional component, the finger
The content and corresponding default scoring range, content range for determining functional component, determine in the edible medicinal plant to be assessed
Specific function ingredient；
5) utilize molecular docking software, target protein and active site according to known to structure, obtain the specific function at
Divide the Conjugated free energy between the target protein；
6) according to PostgreSQL database DAG, being associated between the target protein and the health problem of quasi- research is obtained；
7) it according to the target protein, obtains the edible medicinal to be assessed corresponding with the edible medicinal plant to be assessed and plants
The association assessment models of the health problem of object, functional component and quasi- research.
Wherein, pass through the spy of the parsings such as high resolution mass spectrum method combined data library, ChemSpider in the second way
Determine functional component, as the object for carrying out molecular docking and network pharmacology research in the third mode, specific implementation step can
The content with reference to described in above-mentioned second and the third mode.
7th kind, be by the first, second and the third mode combine:
1) retrieval obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；
2) according to the type and specified functional component of the edible medicinal plant to be assessed, statistics obtains the specified function
Quantity of document that ingredient is related to and its in the quantity of document that the edible medicinal plant to be assessed of corresponding types is retrieved
Shared ratio；
3) it according to the ratio and corresponding preset ratio range, determines specific in the edible medicinal plant to be assessed
Functional component；
4) it according to health problem, pathology access and the corresponding known treatment drug ingedient of quasi- research, establishes activity and comments
Valence model；
5) according to the activity rating model, the edible medicinal plant to be assessed and/or the specific function ingredient are obtained
Living features scoring；
6) content of specific function ingredient described in the edible medicinal plant to be assessed is obtained；
7) according to the scoring of the living features of the edible medicinal plant to be assessed and/or the specific function ingredient, the finger
The content and corresponding default scoring range, content range for determining functional component, determine in the edible medicinal plant to be assessed
Functional component to be estimated；
8) molecular docking software is utilized, target protein and active site according to known to structure obtain the food medicine to be assessed
Conjugated free energy between functional component to be estimated and the target protein described in plant；
9) according to PostgreSQL database DAG, being associated between the target protein and the health problem of quasi- research is obtained；
10) it according to the target protein, obtains the edible medicinal to be assessed corresponding with the edible medicinal plant to be assessed and plants
The association assessment models of the health problem of object, functional component and quasi- research.
Wherein, data in literature, " functional characteristics-chemical characterization " statistical analysis data, molecular docking, network pharmacology are based on
It learns and calculates data, Comprehensive Assessment is carried out to the functional component of edible medicinal plant.For example, obtain include in certain type of tealeaves
The functional component for being directed to diabetes, can also obtain describing whether to have anti-oxidant, function of stabilizing body blood sugar after meal, reduce uric acid and close
At, reduce fat absorption, improve insulin sensitivity, reduce the functional characteristics such as lipidosis, calculate or summarize half effective agent
The quantitative targets such as the percentage that amount, half-inhibitory concentration, maximal percentage inhibition, maximum activation rate, function improve.
For example, using data mining technology, in https: //www.ncbi.nlm.nih.gov/pubmed/ retrieval and tea
Leaf material composition studies related research paper, extracts reported chemical structure information.Meanwhile utilizing high resolution mass spectrum number
According to principal component analytical method is combined, compare composition transfer of the post-fermented tea before and after fermentation, it is believed that catechin is primarily present in green
In the lighter tealeaves of the attenuation degrees such as tea, flavonoid glycoside, saponin(e substance content and type in post-fermented tea be increased.Mass spectrum
The functional component and functional component reported in the literature parsed is included in subsequent molecular docking and network pharmacology analysis link together.
According to for the report of tealeaves and carbohydrate metabolism target spot, paid close attention in document alpha-glucosidase, alpha-amylase,
DPP4 enzyme, GLP-1 receptor, SGLT-2 receptor etc. are closely related with glycometabolism process and have parsed the target spot of protein structure, do
Molecular docking.According to " having stronger binding ability with multiple target proteins " and " stronger for single target protein binding ability " to tea
The functional component of leaf is ranked up.Finishing screen, which selects 23 (choosing according to score value) in tealeaves, may influence the function of glycometabolism
Ingredient, concrete outcome are shown in Fig. 5, wherein △ G≤- 12kcal/mol indicates that binding ability is strong (white)；-12kcal/mol<△G≤-
8kcal/mol indicates that binding ability is relatively strong (light gray)；- 8kcal/mol < △ G≤- 4kcal/mol indicate binding ability it is weaker (in
Ash)；- 4kcal/mol < △ G indicates that binding ability is poor (dark-grey).The result shows that catechin, flavonoid glycoside in tealeaves, saponin(e
Equal ingredients are related to the effect that it adjusts blood glucose.Wherein, the action target spot of flavonoid glycoside ingredient is most, may be by inhibiting starch
Digestion reduces glucose transport, the multi-paths such as insulin secretion is promoted to play stably postprandial blood sugar effect.This method is mainly fitted
It is smaller for molecular weight, can accurate description molecular structure tea component, it is big not to be suitable for thearubigin, theabrownin, tea polysaccharide etc.
Molecular substance.
The characteristics of saponins compound is better than for the polyphenol compound found in the studies above, for first two chemical combination
Object obtains being associated with for target gene and disease using PostgreSQL database DAG." compound-disease is analyzed using Cytoscape3.2.1
The related network of disease-target spot " finds key component and target spot.Node color and feature size are set based on number of edges, utilize open source
The interactive network of database String10.0 analysis target proteins.It is sent out by KEGG pathway enrichment algorithm
Disease pathway where existing albumen, the metabolic disease related disease access for obtaining 1 × 10-4 of P < are carried out as important access into one
Step analysis.As shown in fig. 6, the advantage of flavone compound and polyphenol compound effect is logical in terms of improving metabolic disease
Road has differences, it is thus possible to have synergistic effect.
In summary calculated result is seen, the flavone compound in tealeaves has the function of stronger improvement glycometabolism, and
It and is the comprehensive function of multi-path.The effect of the macromolecular components such as aggretion type polyphenol needs to be discussed by other research means
Card.
In addition, as shown in fig. 7, be respectively by it is above-mentioned the first, second and fifth procedure establish it is default
The result of assessment models, obtained functional component compares.Wherein, having sketched tealeaves (black tea) improves the functional component of glycometabolism.
Through comprehensive descision, optimized black tea improves glycometabolism key function ingredient are as follows: black tea polyphenols are (with theaflavin, tea
Red pigment is representative), catechin and theaflavin have synergistic effect, and caffeine enhances the effect of black tea polyphenols.It is red in terms of functional characteristics
Tea prevention or the feature for improving glycometabolism health are function of stabilizing body blood sugar after meal, and most important characteristic functional component is that tea is yellow
Element, thearubigin；Black tea also has certain effect to insulin system, may be related with catechin.
In addition, as shown in figure 8, being the default assessment models established by above-mentioned the first and the 7th kind of mode respectively
The result of (post-fermented tea), obtained functional component compares.
Through comprehensive descision, optimized post-fermented tea improves glycometabolism key function ingredient are as follows: tea polysaccharide, tea polyphenols, coffee
Coffee is secondly saponin(e substance because of, flavonoid glycoside substance.Wherein tea polysaccharide, flavonoid glycoside and saponin(e increase during tea leaf fermentation
Add, therefore is the significant functional component for improving glycometabolism that post-fermented tea is different from green tea, black tea.Fermented tea is original afterwards
When material prepares food, these ingredients should be paid special attention to.
In addition, expansible, the embodiment of the present invention using default assessment models, is obtaining planting in the edible medicinal to be assessed
Include in object is directed to after the functional component of the health problem of the quasi- research, these functional components can be used as edible medicinal plant
Object is as functional food or is developed further into the key element controlled needed for functional food and final products performance
The material base of corresponding health benefit.These functional component features are also that edible medicinal plants and plant product is different from other and does not add spy
The differentiated advantages of the similar product very controlled are embodied in beneficiating ingredient and health benefit stabilization, can describe.Based on of the invention real
The functional component that example obtains is applied, according to patent information described in database and regulation state, its separation is determined, purifies as function
The value of energy extract, and the feasibility in functional food exploitation and function publicity as marker and mark.
In addition, using the functional component provided and the health problem studied can also be intended by the default assessment models,
Obtain corresponding edible medicinal plant information.
Correspondingly, the embodiment of the present invention provides a kind of machine readable storage medium, stored on the machine readable storage medium
There is instruction, which is used for so that machine executes the functional component appraisal procedure of edible medicinal plant described in above-described embodiment.
The optional embodiment of the embodiment of the present invention is described in detail in conjunction with attached drawing above, still, the embodiment of the present invention is simultaneously
The detail being not limited in above embodiment can be to of the invention real in the range of the technology design of the embodiment of the present invention
The technical solution for applying example carries out a variety of simple variants, these simple variants belong to the protection scope of the embodiment of the present invention.
It is further to note that specific technical features described in the above specific embodiments, in not lance
In the case where shield, it can be combined in any appropriate way.In order to avoid unnecessary repetition, the embodiment of the present invention pair
No further explanation will be given for various combinations of possible ways.
It will be appreciated by those skilled in the art that implementing the method for the above embodiments is that can pass through
Program is completed to instruct relevant hardware, which is stored in a storage medium, including some instructions are used so that single
Piece machine, chip or processor (processor) execute all or part of the steps of each embodiment the method for the application.And it is preceding
The storage medium stated includes: USB flash disk, mobile hard disk, read-only memory (ROM, Read-Only Memory), random access memory
The various media that can store program code such as (RAM, RandomAccess Memory), magnetic or disk.
In addition, any combination can also be carried out between a variety of different embodiments of the embodiment of the present invention, as long as it is not
The thought of the embodiment of the present invention is violated, equally should be considered as disclosure of that of the embodiment of the present invention.
Claims (10)
1. a kind of functional component appraisal procedure of edible medicinal plant, which is characterized in that the described method includes:
Obtain the relevant information of edible medicinal plant to be assessed and the health problem of quasi- research；
According to the relevant information of the edible medicinal plant to be assessed, the health problem of the quasi- research and with it is described to be assessed
The corresponding default assessment models of edible medicinal plant, obtain including in the edible medicinal plant to be assessed is directed to described quasi- grind
The functional component for the health problem studied carefully.
2. the method according to claim 1, wherein default assessment corresponding with the edible medicinal plant to be assessed
Model is established by following manner:
Retrieval obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；
According to the type and specified functional component of the edible medicinal plant to be assessed, statistics obtains the specified functional component and relates to
And quantity of document and it is shared in the quantity of document that the edible medicinal plant to be assessed of corresponding types is retrieved
The quantity of document and its being good in the quasi- research that first ratio and the different type of the edible medicinal plant to be assessed are related to
The second shared ratio in the quantity of document that Kang Wenti is retrieved；
According to first ratio and the second ratio, the food medicine to be assessed corresponding with the edible medicinal plant to be assessed is obtained
With the association assessment models of the health problem of plant, functional component and quasi- research.
3. the method according to claim 1, wherein default assessment corresponding with the edible medicinal plant to be assessed
Model is established by following manner:
According to the health problem of quasi- research, pathology access and corresponding known treatment drug ingedient, activity rating model is established；
According to the activity rating model, the activity for obtaining the edible medicinal plant to be assessed and/or its specified functional component is special
Sign scoring；
Obtain the content that functional component is specified described in the edible medicinal plant to be assessed；
According to the living features scoring and the specified function of the edible medicinal plant to be assessed and/or its specified functional component
The content of ingredient, obtain the edible medicinal plant to be assessed corresponding with the edible medicinal plant to be assessed, functional component and
The association assessment models of the health problem of quasi- research.
4. the method according to claim 1, wherein default assessment corresponding with the edible medicinal plant to be assessed
Model is established by following manner:
Using molecular docking software, target protein and active site according to known to structure obtain the edible medicinal plant to be assessed
In specify Conjugated free energy between functional component and the target protein；
According to PostgreSQL database DAG, being associated between the target protein and the health problem of quasi- research is obtained；
According to the target protein, the edible medicinal plant to be assessed corresponding with the edible medicinal plant to be assessed, function are obtained
The association assessment models of ingredient and the health problem of quasi- research.
5. the method according to claim 1, wherein default assessment corresponding with the edible medicinal plant to be assessed
Model is established by following manner:
Retrieval obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；
According to the type and specified functional component of the edible medicinal plant to be assessed, statistics obtains the specified functional component and relates to
And quantity of document and it is shared in the quantity of document that the edible medicinal plant to be assessed of corresponding types is retrieved
Ratio；
According to the ratio and corresponding preset ratio range, determine specific function in the edible medicinal plant to be assessed at
Point；
According to the health problem of quasi- research, pathology access and corresponding known treatment drug ingedient, activity rating model is established；
According to the activity rating model, the activity of the edible medicinal plant to be assessed and/or the specific function ingredient is obtained
Feature scoring；
Obtain the content of specific function ingredient described in the edible medicinal plant to be assessed；
According to the scoring of the living features of the edible medicinal plant to be assessed and/or the specific function ingredient and the specified function
Can ingredient content, obtain the edible medicinal plant to be assessed corresponding with the edible medicinal plant to be assessed, functional component with
And the association assessment models of the health problem of quasi- research.
6. the method according to claim 1, wherein default assessment corresponding with the edible medicinal plant to be assessed
Model is established by following manner:
Retrieval obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；
According to the type and specified functional component of the edible medicinal plant to be assessed, statistics obtains the specified functional component and relates to
And quantity of document and it is shared in the quantity of document that the edible medicinal plant to be assessed of corresponding types is retrieved
Ratio；
According to the ratio and corresponding preset ratio range, determine specific function in the edible medicinal plant to be assessed at
Point；
Using molecular docking software, target protein and active site according to known to structure obtain the edible medicinal plant to be assessed
Described in Conjugated free energy between specific function ingredient and the target protein；
According to PostgreSQL database DAG, being associated between the target protein and the health problem of quasi- research is obtained；
According to the target protein, the edible medicinal plant to be assessed corresponding with the edible medicinal plant to be assessed, function are obtained
The association assessment models of ingredient and the health problem of quasi- research.
7. the method according to claim 1, wherein default assessment corresponding with the edible medicinal plant to be assessed
Model is established by following manner:
According to the health problem of quasi- research, pathology access and corresponding known treatment drug ingedient, activity rating model is established；
According to the activity rating model, the activity for obtaining the edible medicinal plant to be assessed and/or its specified functional component is special
Sign scoring；
Obtain the content that functional component is specified described in the edible medicinal plant to be assessed；
According to the scoring of the living features of the edible medicinal plant to be assessed and/or the specified functional component, the specified function
The content of ingredient and corresponding default scoring range, content range, determine the specific function in the edible medicinal plant to be assessed
It can ingredient；
Using molecular docking software, target protein and active site according to known to structure obtain the specific function ingredient and institute
State the Conjugated free energy between target protein；
According to PostgreSQL database DAG, being associated between the target protein and the health problem of quasi- research is obtained；
According to the target protein, the edible medicinal plant to be assessed corresponding with the edible medicinal plant to be assessed, function are obtained
The association assessment models of ingredient and the health problem of quasi- research.
8. the method according to claim 1, wherein default assessment corresponding with the edible medicinal plant to be assessed
Model is established by following manner:
Retrieval obtains document relevant to the health problem of edible medicinal plant to be assessed and quasi- research；
According to the type and specified functional component of the edible medicinal plant to be assessed, statistics obtains the specified functional component and relates to
And quantity of document and it is shared in the quantity of document that the edible medicinal plant to be assessed of corresponding types is retrieved
Ratio；
According to the ratio and corresponding preset ratio range, determine specific function in the edible medicinal plant to be assessed at
Point；
According to the health problem of quasi- research, pathology access and corresponding known treatment drug ingedient, activity rating model is established；
According to the activity rating model, the activity of the edible medicinal plant to be assessed and/or the specific function ingredient is obtained
Feature scoring；
Obtain the content of specific function ingredient described in the edible medicinal plant to be assessed；
According to the scoring of the living features of the edible medicinal plant to be assessed and/or the specific function ingredient, the specified function
The content of ingredient and corresponding default scoring range, content range, determine the function to be estimated in the edible medicinal plant to be assessed
It can ingredient；
Using molecular docking software, target protein and active site according to known to structure obtain the edible medicinal plant to be assessed
Described in Conjugated free energy between functional component to be estimated and the target protein；
According to PostgreSQL database DAG, being associated between the target protein and the health problem of quasi- research is obtained；
According to the target protein, the edible medicinal plant to be assessed corresponding with the edible medicinal plant to be assessed, function are obtained
The association assessment models of ingredient and the health problem of quasi- research.
9. the method according to claim 1, wherein the function of obtaining the edible medicinal plant to be assessed at
Divide and includes:
Obtain the functional component and its reducible disease risks of the edible medicinal plant to be assessed.
10. a kind of machine readable storage medium, which is characterized in that be stored with instruction on the machine readable storage medium, the instruction
For making machine execute the functional component appraisal procedure of the described in any item edible medicinal plants of the claims 1-9.
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