JPWO2008001851A1 - 薬、薬の誘導装置、磁気検出装置及び薬の設計方法 - Google Patents
薬、薬の誘導装置、磁気検出装置及び薬の設計方法 Download PDFInfo
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Abstract
Description
〔第1実施形態〕
まず、第1実施形態として、有機化合物、より具体的には薬候補剤としてのフォルスコリンを用いて説明する。
座標を示す変数である。
次に、第2実施形態として、無機化合物、より具体的には抗がん剤としてのシスプラチンを用いて説明する。シスプラチンは金属錯体(白金錯体)であり、抗がん剤のなかでも白金製剤に分類される。
る。
Claims (22)
- 有機化合物または無機化合物から構成され、側鎖の修飾または/及び側鎖間の架橋により磁性を有することを特徴とする薬。
- 有機化合物または無機化合物から構成され、側鎖の修飾または/及び側鎖間の架橋により磁性を有し、個体に投与された際に、当該個体に加えた磁界によって目的とする組織或いは患部に誘導されるように構成した、化合物の組成自体に磁場を有する薬剤。
- 前記個体外表面から前記組織又は患部に磁場を与えて、当該組織又は患部に誘導されるようにした、請求項2記載の薬剤。
- 前記個体の前記組織内又は患部内に磁力発生手段を適用し、当該組織又は前記患部に誘導されるようにした、請求項3記載の薬剤。
- 前記個体の前記組織内又は患部内に前記個体の体液を供給する血管等の経路の途中に磁力発生手段を配置して、下流の組織又は患部に誘導されるようにした、請求項2記載の薬剤。
- 前記有機化合物は、フォルスコリンであることを特徴とする請求項1記載の薬剤。
- 前記有機化合物は、男性***不全治療に効果のある組成物であることを特徴とする請求項1記載の薬剤。
- 前記無機化合物は、金属錯体であることを特徴とする請求項1記載の薬剤。
- 前記金属錯体は、抗がん性を有するシス幾何異性体であることを特徴とする請求項8記載の薬剤。
- 前記シス幾何異性体は、シスプラチンであることを特徴とする請求項9記載の薬剤。
- 体内に投与した請求項1〜10のいずれか一項に記載の薬剤を、当該薬の磁性を利用して所定の患部に誘導する誘導システムであって、個体の表面又は当該個体の組織又は患部に対して磁場を発生する手段を配置するようにした、誘導システム。
- 体内に投与した請求項1〜10のいずれか一項に記載の薬を、当該薬の磁性を利用して所定の患部に誘導する誘導システムであって、個体に対して磁場を発生する手段と、当該磁場を前記固定の目的とする組織又は患部に誘導する手段と、を備える、誘導システム。
- 前記磁場を発生する手段は、2つの磁石を対にして当該二つの磁石の間に前記目的とする組織又は患部を置き、当該組織又は患部に磁束を集中させるように構成されてなる請求項11又は12記載の誘導システム。
- 前記目的とする組織又は患部はMRI又はCTによって同定されてなる、請求項11乃至13の何れか1項に記載の誘導システム。
- 体内に投与した請求項1〜10のいずれか一項に記載の薬の磁性を検出することで、当該薬の体内動態を検知することを特徴とする磁気検出装置。
- 前記磁性を磁気共鳴誘導によって検出する請求項15記載の磁気検出装置。
- コンピュータを利用したコンピュータシミュレーションの手法によって薬剤を設計する方法であって、前記コンピュータは、前記コンピュータシミュレーションを実行するプログラムを記憶するメモリと、当該プログラムに対するデータ入力を行なう入力装置と、前記データ及び前記プログラムに基づいて演算を行なう演算装置と、演算結果を出力する出力装置とを備え、
前記演算装置は前記薬剤として用いられる有機化合物または無機化合物に対し、側鎖の修飾または/及び側鎖間の架橋を行った分子モデルを設定し、当該分子モデルについて数値計算により求めたスピン電荷密度分布から前記分子モデルが磁性を有するか否かを判定し、磁性を有すると判定した分子モデルを最適化合物として前記出力装置に出力する、薬剤の設計システム。 - 前記演算装置は、前記薬剤を構成する各原子を3次元空間上において波動関数から推測される最適な方向に所定の距離だけ移動させ、そのときの各原子に働く原子間力を算出して、この時の原子間力が零になる前記薬剤の構造を最適状態と判定する、請求項17記載のシステム。
- 前記演算装置は、前記薬剤の構造を最適化する過程で、前記薬剤を構成する複数の原子間で架橋を施した分子モデルを形成し、当該モデルについて前記原子間力を演算する、請求項17又は18記載のシステム。
- 前記スピン電荷密度分布に基づいて前記分子モデルが強磁性かフェリ磁性かを判定することを特徴とする請求項17記載のシステム。
- 前記スピン電荷密度分布に基づいて前記分子モデルの磁性の強度を判定することを特徴とする請求項17乃至20の何れか1項記載のシステム。
- 有機化合物の基本骨格に対して、正又は負のスピン電荷密度付与する側鎖が結合され、全体として外部磁場に対して磁気共有誘導される範囲の磁性を持ち、人体や動物に適用された際に、体外からの磁場によって局所的に磁場が与えられている領域に蓄積され、元来保有している医薬効果を前記領域において発揮するようにした、局所治療薬。
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JP2006177971A JP2007091710A (ja) | 2005-08-31 | 2006-06-28 | 薬、薬の誘導装置、磁気検出装置及び薬の設計方法 |
JP2007056624 | 2007-03-07 | ||
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JP2008522625A JP5378792B2 (ja) | 2006-06-28 | 2007-06-28 | 磁性薬誘導システム |
PCT/JP2007/063011 WO2008001851A1 (en) | 2006-06-28 | 2007-06-28 | Drug, drug induction device, magnetic detector and method of designing drug |
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EP2444912A3 (en) | 2012-07-25 |
CN103705947A (zh) | 2014-04-09 |
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WO2008001851A1 (en) | 2008-01-03 |
US20090311163A1 (en) | 2009-12-17 |
EP2036550A4 (en) | 2009-07-15 |
EP2741226B1 (en) | 2019-02-06 |
JP2013253116A (ja) | 2013-12-19 |
EP2036550A1 (en) | 2009-03-18 |
US20140214380A1 (en) | 2014-07-31 |
US20120283505A1 (en) | 2012-11-08 |
JP5764632B2 (ja) | 2015-08-19 |
JP5378792B2 (ja) | 2013-12-25 |
EP2345974B1 (en) | 2014-08-06 |
EP2741226A1 (en) | 2014-06-11 |
EP2345974A1 (en) | 2011-07-20 |
EP2444912A2 (en) | 2012-04-25 |
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