Molecular Design of Potent Inhibitor Specific for Cathepsin B Based on the Tertiary Stucture Prediction
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概要
- 論文の詳細を見る
To design a potent inhibitor specific for cathepsin B(rat liver), the tertiary structure was predicted based on the crystal structure of the papain complexed with(+)-(2S, 3S)-3-{1-[N-(3-methylbutyl)amino]leucylcarbonyl}oxirane-2-carbolylic acid(E-64-c), a thiol protease inhibitor. Taking advantage of the structural characteristics of the predicted active site, seventeen inhibitors were chemically synthesized by molecular modeling, and one of them, N-(L-3-trans-propylcarbamoyloxirane-2-carbonyl)-L-isoleucyl-L-proline(CA-074)was show to be the first potent inhibitor specific for cathepsin B. The relationship between the structure and inhibitory activity is discussed based on the model structure of the cathepsin B-inhibitor complex.
- 社団法人日本薬学会の論文
- 1992-02-25
著者
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石田 寿昌
大阪薬大
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北村 一泰
Research Center, Taisho Pharmaceutical Co., Ltd.,
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石田 寿昌
Department of Physical Chemistry Osaka College of Pharmacy
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井上 正敏
Department of Physical Chemistry Osaka College of Pharmacy
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井上 正敏
大阪薬大
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角谷 重幸
Research Center, Taisho Pharmaceutical Co., Ltd.,
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米田 照代
Research Center, Taisho Pharmaceutical Co., Ltd.,
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村田 充男
Research Center, Taisho Pharmaceutical Co., Ltd.,
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横尾 千尋
Research Center, Taisho Pharmaceutical Co., Ltd.,
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玉井 正晴
Research Center, Taisho Pharmaceutical Co., Ltd.,
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山元 淳
Department of Physical Chemistry, Osaka University of Pharmaceutical Sciences
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石田 寿晶
大阪薬科大学
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井上 正敏
Department Of Physical Chemistry Osaka University Of Pharmaceutical Sciences
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北村 一泰
Research Center Taisho Pharmaceutical Co. Ltd.
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玉井 正晴
Research Center Taisho Pharmaceutical Co. Ltd.
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村田 充男
Research Center Taisho Pharmaceutical Co. Ltd.
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横尾 千尋
Research Center Taisho Pharmaceutical Co. Ltd.
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山元 淳
Department Of Physical Chemistry Osaka University Of Pharmaceutical Sciences
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角谷 重幸
Research Center Taisho Pharmaceutical Co. Ltd.
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米田 照代
Research Center Taisho Pharmaceutical Co. Ltd.
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