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[药物设计] 分子内氢键在药物设计中的应用--2017年最新综述

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发表于 2018-5-17 17:37:25 | 显示全部楼层 |阅读模式

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ABSTRACT: Design strategies centered on intramolecular hydrogen bonds are sometime used in drug discovery, but their general applicability has not been addressed beyond scattered examples or circumstantial evidence. A total of 1053 matched molecular pairs where only one of the two molecules is able to form an intramolecular hydrogen bond via monatomic transformations have been identified across the ChEMBL database. These pairs were used to investigate the effect of intramolecular hydrogen bonds on biological activity. While cases of extreme, conflicting variation of effect emerge, the mean biological activity difference for a pair is close to zero and does not exceed ±0.5 log biological activity for over 50% of the analyzed sample  

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intra_HBond_review_JMC_2017.pdf

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发表于 2018-5-17 17:54:48 | 显示全部楼层
哈哈!谢谢 北医-忍冬 分享最新的关于分子内氢键的文章。学习了。
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