Introducing ligand-based hydrogen bond donors to a receptor: both selectivity and binding affinity for anion recognition in water can be improved

Feihu Huang; Chen Cheng; Guoqiang Feng

doi:10.1021/jo302271t

Introducing ligand-based hydrogen bond donors to a receptor: both selectivity and binding affinity for anion recognition in water can be improved

J Org Chem. 2012 Dec 21;77(24):11405-8. doi: 10.1021/jo302271t. Epub 2012 Dec 6.

Authors

Feihu Huang¹, Chen Cheng, Guoqiang Feng

Affiliation

¹ Key Laboratory of Pesticide and Chemical Biology of Ministry of Education, College of Chemistry, Central China Normal University,152 Luoyu Road, Wuhan 430079, P. R. China.

PMID: 23194093
DOI: 10.1021/jo302271t

Abstract

Introducing hydrogen bond donors to a receptor was found to be an effective approach to improve both its selectivity and binding affinity for pyrophosphate in water. The crystal structure of Zn3-ADP complex showed the improvements come from the combination of H-bonding and metal coordination in a manner similar to many metalloenzymes.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Diphosphates / chemistry*
Hydrogen Bonding
Ligands
Substrate Specificity
Water / chemistry*

Substances

Diphosphates
Ligands
Water