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多薬理学プロファイルへのリガンドの自動設計

Jérémy Besnard1, Gian Filippo Ruda, Vincent Setola

  • 1Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Dundee DD1 5EH, UK.

Nature
|December 14, 2012
PubMed
まとめ

特定のマルチターゲットのプロファイルを持つ薬剤を設計することは困難です. この研究は,複数の薬物標的に対するリガンドの設計のための自動化された方法を提示し,予測の75%の正確性を達成し,インビボ標的の関与を実証しています.

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