Looking Back, Looking Forward at Halogen Bonding in Drug Discovery

被引：146

作者：

Mendez, Lois ^{[1
]}

Henriquez, Gabriela ^{[2
]}

Sirimulla, Suman ^{[3
]}

Narayan, Mahesh ^{[1
]}

机构：

[1] Univ Texas El Paso, Dept Chem, El Paso, TX 79968 USA

[2] Univ Texas El Paso, Environm Sci & Engn Program, El Paso, TX 79968 USA

[3] Univ Texas El Paso, Sch Pharm, El Paso, TX 79968 USA

来源：

MOLECULES | 2017年 / 22卷 / 09期

关键词：

halogen bonding; sigma-hole; Lewis base; Lewis acid; drug discovery; PROTEIN-KINASE CK2; MECHANICAL METHOD PM6-DH2X; MEDICINAL CHEMISTRY; FORCE-FIELD; AMINO-ACIDS; SIGMA-HOLE; PM6; METHOD; LIGAND COMPLEXES; HYDROGEN-BONDS; BINDING-SITE;

D O I：

10.3390/molecules22091397

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Halogen bonding has emerged at the forefront of advances in improving ligand: receptor interactions. In particular the newfound ability of this extant non-covalent-bonding phenomena has revolutionized computational approaches to drug discovery while simultaneously reenergizing synthetic approaches to the field. Here we survey, via examples of classical applications involving halogen atoms in pharmaceutical compounds and their biological hosts, the unique advantages that halogen atoms offer as both Lewis acids and Lewis bases.

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页数：15

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