Interaction Between GABA and Mutant GABAaR

doi:10.7503/cjcu20120075

Chem. J. Chinese Universities ›› 2012, Vol. 33 ›› Issue (11): 2462.doi: 10.7503/cjcu20120075

• Organic Chemistry • Previous Articles Next Articles

Interaction Between GABA and Mutant GABAaR

WEN Xia-Xia¹, NAN Shi-Bin¹, REN Tian-Rui¹, YAO Jian-Hua²

1. Key Laboratory of Resource Chemistry, Ministry of Education, College of Life and Environment Science, Shanghai Normal University, Shanghai 200234, China;
2. Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai 200032, China

Received:2012-01-16 Online:2012-11-10 Published:2012-10-15

Abstract

Abstract:

The interaction between receptor and ligand may explain the mechanism of ligand effect. Homology modeling is one of important technologies in computer-aided drug design. In this paper, a rat γ-aminobutyric acid receptor(GABAaR) model and its β97Tyr mutant receptor models were built by homology modeling. The calculation results show that the interactions between γ-aminobutyric acid(GABA) and the GABAaR and its mutants are significantly different in the docking energy and hydrogen bonds. As the numbers of fluorine atom in mutant receptors increase, the binding capacities between the receptors and ligand decrease.

Key words: γ-Aminobutyric acid receptor(GABAaR), Active site, Mutations of amino acid, Homology modeling, Docking

CLC Number:

O629.7
O641

TrendMD:

WEN Xia-Xia, NAN Shi-Bin, REN Tian-Rui, YAO Jian-Hua. Interaction Between GABA and Mutant GABAaR[J]. Chem. J. Chinese Universities, 2012, 33(11): 2462.

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Interaction Between GABA and Mutant GABAaR

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