Department of Pharmaceutical & Medicinal Chemistry, Institute of Pharmaceutical Sciences, Eberhard-Karls-University Tuebingen, Auf der Morgenstelle 8, 72076 Tuebingen, Germany.
Future Med Chem. 2014 Apr;6(6):617-39. doi: 10.4155/fmc.14.20.
Halogen bonding has recently experienced a renaissance, gaining increased recognition as a useful molecular interaction in the life sciences. Halogen bonds are favorable, fairly directional interactions between an electropositive region on the halogen (the σ-hole) and a number of different nucleophilic interaction partners. Some aspects of halogen bonding are not yet understood well enough to take full advantage of its potential in drug discovery. We describe and present the concept of halogen-enriched fragment libraries. These libraries consist of unique chemical probes, facilitating the identification of favorable halogen bonds by sharing the advantages of classical fragment-based screening. Besides providing insights into the nature and applicability of halogen bonding, halogen-enriched fragment libraries provide smart starting points for hit-to-lead evolution.
卤键最近经历了一次复兴，在生命科学中作为一种有用的分子相互作用得到了越来越多的认可。卤键是卤原子（σ-hole）上的正电性区域与许多不同亲核相互作用伙伴之间有利的、相当定向的相互作用。卤键的某些方面还没有被充分理解，无法充分利用其在药物发现中的潜力。我们描述并提出了富含卤素的片段库的概念。这些库由独特的化学探针组成，通过共享经典片段筛选的优势，促进了有利卤键的识别。除了提供对卤键的性质和适用性的深入了解外，富含卤素的片段库还为命中先导的进化提供了明智的起点。
