BR112014032104A2 - método para identificar interações proteína-droga, e, produto de computador. - Google Patents

método para identificar interações proteína-droga, e, produto de computador.

Info

Publication number
BR112014032104A2
BR112014032104A2 BR112014032104A BR112014032104A BR112014032104A2 BR 112014032104 A2 BR112014032104 A2 BR 112014032104A2 BR 112014032104 A BR112014032104 A BR 112014032104A BR 112014032104 A BR112014032104 A BR 112014032104A BR 112014032104 A2 BR112014032104 A2 BR 112014032104A2
Authority
BR
Brazil
Prior art keywords
drug interactions
computer product
identifying protein
protein
identifying
Prior art date
Application number
BR112014032104A
Other languages
English (en)
Inventor
Dakshanamurthy Sivanesan
W Byers Stephen
Original Assignee
Univ Georgetown
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Univ Georgetown filed Critical Univ Georgetown
Publication of BR112014032104A2 publication Critical patent/BR112014032104A2/pt

Links

Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16H—HEALTHCARE INFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR THE HANDLING OR PROCESSING OF MEDICAL OR HEALTHCARE DATA
    • G16H70/00—ICT specially adapted for the handling or processing of medical references
    • G16H70/40—ICT specially adapted for the handling or processing of medical references relating to drugs, e.g. their side effects or intended usage
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30—Drug targeting using structural data; Docking or binding prediction
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/50—Molecular design, e.g. of drugs

Landscapes

  • Engineering & Computer Science (AREA)
  • Health & Medical Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Physics & Mathematics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Medical Informatics (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Theoretical Computer Science (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Medicinal Chemistry (AREA)
  • Biotechnology (AREA)
  • Evolutionary Biology (AREA)
  • Biophysics (AREA)
  • Toxicology (AREA)
  • Epidemiology (AREA)
  • Primary Health Care (AREA)
  • Public Health (AREA)
  • Computing Systems (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
BR112014032104A 2012-06-21 2013-06-21 método para identificar interações proteína-droga, e, produto de computador. BR112014032104A2 (pt)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US201261662696P 2012-06-21 2012-06-21
PCT/US2013/047152 WO2013192573A1 (en) 2012-06-21 2013-06-21 Method for predicting drug-target interactions and uses for drug repositioning

Publications (1)

Publication Number Publication Date
BR112014032104A2 true BR112014032104A2 (pt) 2017-08-01

Family

ID=49769449

Family Applications (1)

Application Number Title Priority Date Filing Date
BR112014032104A BR112014032104A2 (pt) 2012-06-21 2013-06-21 método para identificar interações proteína-droga, e, produto de computador.

Country Status (6)

Country Link
US (1) US20150324546A1 (pt)
EP (1) EP2864916A4 (pt)
AU (1) AU2013278008B2 (pt)
BR (1) BR112014032104A2 (pt)
CA (1) CA2877126A1 (pt)
WO (1) WO2013192573A1 (pt)

Families Citing this family (16)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US11037684B2 (en) * 2014-11-14 2021-06-15 International Business Machines Corporation Generating drug repositioning hypotheses based on integrating multiple aspects of drug similarity and disease similarity
US10975412B2 (en) 2015-05-07 2021-04-13 University Of Kentucky Research Foundation Method for designing compounds and compositions useful for targeting high stoichiometric complexes to treat conditions, including treatment of viruses, bacteria, and cancers having acquired drug resistance
WO2016200681A1 (en) * 2015-06-08 2016-12-15 Georgetown University Predicting drug-target interactions and uses for drug repositioning and repurposing
KR101959895B1 (ko) * 2015-07-20 2019-03-19 주식회사 엘지화학 용제의 구조적 효과의 유사성 평가 방법 및 이를 이용한 시스템
CN109155148B (zh) * 2015-12-31 2022-06-24 思科利康有限公司 用于蛋白组对接以识别蛋白－配体相互作用的方法
US20200051661A1 (en) * 2016-10-18 2020-02-13 Arizona Board Of Regents On Behalf Of The University Of Arizona Pharmacogenomics of Intergenic Single-Nucleotide Polymorphisms and in Silico Modeling for Precision Therapy
US11450439B2 (en) 2017-12-29 2022-09-20 Brian Hie Realizing private and practical pharmacological collaboration using a neural network architecture configured for reduced computation overhead
CN109887540A (zh) * 2019-01-15 2019-06-14 中南大学 一种基于异构网络嵌入的药物靶标相互作用预测方法
CN109859816A (zh) * 2019-02-21 2019-06-07 北京深度制耀科技有限公司 一种基于药物再利用的药物与疾病匹配方法和装置
KR102035658B1 (ko) * 2019-04-01 2019-10-23 한국과학기술정보연구원 신약 재창출 후보 추천 시스템 및 이 시스템의 각 기능을 실행시키기 위해 매체에 저장된 컴퓨터 프로그램
CN110415763B (zh) * 2019-08-06 2023-05-23 腾讯科技（深圳）有限公司 药物与靶标的相互作用预测方法、装置、设备及存储介质
CN111383708B (zh) * 2020-03-11 2023-05-12 中南大学 基于化学基因组学的小分子靶标预测算法及其应用
CN111582275B (zh) * 2020-05-12 2023-04-07 广东工业大学 一种序列号识别方法及装置
CN112331273B (zh) * 2020-10-28 2023-12-15 星药科技(北京)有限公司 一种基于多维度信息的药物小分子-蛋白靶点反应预测方法
CN116124753B (zh) * 2023-04-14 2023-07-25 北京芯迈微生物技术有限公司 基于荧光转化能力的微流控定量检测试剂盒及方法
CN116246697B (zh) * 2023-05-11 2023-08-01 上海微观纪元数字科技有限公司 用于药物的靶点蛋白质预测方法及装置、设备、存储介质

Family Cites Families (2)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2002101077A2 (en) 2001-06-11 2002-12-19 The Donald Danforth Plant Science Center Docking of small ligands to low-resolution and theoretically predicted receptor structures
US20130184163A1 (en) 2010-06-07 2013-07-18 Priaxon Ag Method for identifying compounds

Also Published As

Publication number Publication date
EP2864916A1 (en) 2015-04-29
CA2877126A1 (en) 2013-12-27
EP2864916A4 (en) 2015-12-23
US20150324546A1 (en) 2015-11-12
AU2013278008A1 (en) 2015-01-22
AU2013278008B2 (en) 2019-01-24
WO2013192573A1 (en) 2013-12-27

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Legal Events

Date Code Title Description
B06F Objections, documents and/or translations needed after an examination request according [chapter 6.6 patent gazette]
B06F Objections, documents and/or translations needed after an examination request according [chapter 6.6 patent gazette]
B06I Publication of requirement cancelled [chapter 6.9 patent gazette]

Free format text: ANULADA A PUBLICACAO CODIGO 6.6.1 NA RPI NO 2462 DE 13/03/2018 POR TER SIDO INDEVIDA.

B06U Preliminary requirement: requests with searches performed by other patent offices: procedure suspended [chapter 6.21 patent gazette]
B11B Dismissal acc. art. 36, par 1 of ipl - no reply within 90 days to fullfil the necessary requirements