先导化合物发现及优化新策略述评(一) 被引量：3

New insights in “follow-on” based drug discovery and optimization(Part Ⅰ)

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摘要模拟创新是当前我国重大新药创制中发现的作用机制明确、结构新颖的先导化合物或候选药物的一条切实有效策略。结合大量实例分析了模拟创新药物研究中先导化合物发现及优化的2种新途径,即基于蛋白/配体复合物晶体结构叠合的分子杂合和"优势结构再定位"策略,以期为该领域的相关研究提供参考。 Currently,the＂follow-on＂based drug discovery consisted of several chemical evolution efforts is considered to be a feasible way in our country＂major drug discovery project＂.Based on recent successful examples,this review outlines the basic principles and recent advances in ＂follow-on＂based drug discovery and optimization using knowledge-based pharmacophore（fragment）hybridization,assisted by crystallographic overlays and the concept of＂privileged structure renaissance＂,which is derived from the＂drug repurposing（repositioning）＂principle.The purpose of this review is to provide some reference for researchers in this field.

作者展鹏刘新泳

机构地区山东大学药学院

出处《中国科技论文》 CAS 北大核心 2015年第24期2918-2928,共11页 China Sciencepaper

基金高等学校博士学科点专项科研基金资助项目(20110131130005,20110131120037)

关键词药物化学模拟创新分子杂合优势结构药物再定位基于结构的药物设计生物信息学 medicinal chemistry ＂follow-on＂-based innovation molecular hybridization privileged structure drug repurposing（drug repositioning） structure-based drug design bioinformatics

分类号 R914 [医药卫生—药物化学]

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