Molecular Mechanics Study on the Folded Conformation of Semotiadil, a Ca^<2+> Antagonist Having a Benzothiazine Skeleton
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概要
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The conformation of semotiadil (1) was investigated by the molecular mechanics method. The analysis of energy components of the stable conformations suggested that stabilities are principally under the control of van der Waals and torsional energy terms. Two major van der Waals interactions were found between the 2-phenyl and the methylene-dioxyphenyl rings, and between the alkylamine side chain and the benzothiazine ring. The torsional energy term was caused mainly by the alkylamino side chain conformation. Stable conformations would be useful when considering possible solution conformations of 1.
- 公益社団法人日本薬学会の論文
- 1992-11-25
著者
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藤村 健一
Central Research Laboratories, Santen Pharmaceutical Co., Ltd.,
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河嶋 洋一
Central Research Laboratories, Santen Pharmaceutical Co., Ltd.,
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河嶋 洋一
参天製薬(株)生産技術部
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河嶋 洋一
Central Research Laboratories Santen Pharmaceutical Co. Ltd.
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太田 淳稔
Central Research Laboratories, Santen Pharmaceutical Co., Ltd.,
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須原 寛
Central Research Laboratories, Santen Pharmaceutical Co., Ltd.,
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須原 寛
Central Research Laboratories Santen Pharmaceutical Co. Ltd.
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太田 淳稔
参天製薬(株)眼科研究所
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藤村 健一
Central Research Laboratories Santen Pharmaceutical Co. Ltd.
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