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构象限制策略在药物设计中的应用
投稿时间:2019-08-22  修订日期:2019-11-13  点此下载全文
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作者单位E-mail
吴国丽 山西省儿童医院 940371919@qq.com 
卢晓林 山西医科大学  
许晋芳 山西医科大学  
基金项目:国家自然科学基金项目(面上项目,重点项目,重大项目)
中文摘要:在药物分子设计中,构象限制已成为先导化合物结构优化中重要的改造策略之一。本文综述了一些合理增加分子构象限制的应用实例。通过在分子中引入稠合环、大环、螺环、环丙基、桥环、甲基等结构,展示了构象限制策略在改善药代动力学性质、提高化合物的活性和选择性,以及增加化合物新颖性等方面的广泛应用。
中文关键词:构象限制  药物设计  结构优化  
 
Application of a conformational restriction strategy in drug design
Abstract:Conformational control has become one of the important strategies for modification and optimization of lead compounds in structure-based drug design. In this review, we present applications of conformational control in structure-based drug design using selected practical examples from the recent medicinal chemistry literatures. There are many methods for conformational restriction, such as introducing fused rings, macrocycles, spiral rings, cyclopropyl groups, bridging rings, methyl groups, etc. Consequently, the conformational restriction strategy addresses multiple roadblocks that can occur during drug discovery such as improving pharmacokinetic properties, enhancing potency and selectivity of compounds, and increasing the novelty of compounds.
keywords:conformational control  drug design  structure optimization
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