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C-H…O及其他弱氢键。从晶体工程到虚拟筛选。

C-H...O and other weak hydrogen bonds. From crystal engineering to virtual screening.

作者信息

Desiraju Gautam R

机构信息

School of Chemistry, University of Hyderabad, Hyderabad, 500046, India.

出版信息

Chem Commun (Camb). 2005 Jun 28(24):2995-3001. doi: 10.1039/b504372g. Epub 2005 May 27.

Abstract

Hydrogen bonds, X-H...A, formed by weak donors (X = C) and acceptors (A = pi system) were generally dismissed as being of little consequence before and even during the 1970s. This situation changed in the early 1980s, and during the two following decades they were implicated as being significant in many small molecule crystal structures, and also in solution. Today, knowledge gained about these interactions is being used to understand the structure of biomolecules with implications for structure based drug design.

摘要

由弱供体(X = C)和受体(A = π体系)形成的氢键X-H...A,在20世纪70年代之前甚至在70年代期间,通常被认为无关紧要。这种情况在20世纪80年代初发生了变化,在随后的二十年里,人们发现它们在许多小分子晶体结构以及溶液中都具有重要意义。如今,从这些相互作用中获得的知识正被用于理解生物分子的结构,这对基于结构的药物设计具有重要意义。

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