Bioisosteric equivalence of five-membered heterocycles

被引：11

作者：

Dudkin, V. Y. ^{[1
]}

机构：

[1] Merck Res Labs, Dept Med Chem, West Point, PA 18486 USA

来源：

CHEMISTRY OF HETEROCYCLIC COMPOUNDS | 2012年 / 48卷 / 01期

关键词：

heterocycles; bioisosterism; lead optimization; medicinal chemistry; scaffold hopping; CENTER-DOT-O; DRUG DESIGN; KINASE INHIBITORS; HYDROGEN-BONDS; KDR KINASE; POTENT; REPLACEMENT; DISCOVERY;

D O I：

10.1007/s10593-012-0964-8

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A variety of factors can affect bioisosteric relationships between structural motifs in a medicinal chemistry optimization project, both in terms of ligand affinity to a given target and off-target profile. Such parameters, e.g. the ability to participate in hydrogen bonding and pi-pi interactions, basicity, and solubility are discussed with a particular focus on five-membered heterocycles and their application in drug design.

引用

页码：27 / 32

页数：6

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