Effects of GSH on the Activity of Two Glutathione Peroxidase Mimics

Chem. J. Chinese Universities

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Effects of GSH on the Activity of Two Glutathione Peroxidase Mimics

ZHENG Qing-Chuan¹, LÜ Shao-Wu², ZHAO Yong-Shan¹, MU Ying², LUO Gui-Min², SUN Chia-Chung^1*

1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Changchun 130023, China;
2. Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, Jilin University, Changchun 130021, China

Received:2008-09-19 Revised:1900-01-01 Online:2008-12-10 Published:2008-12-10
Contact: SUN Chia-Chung

Abstract

Abstract: 6A,6A’-dianilino-6B,6B’-diselenide-bis-β-cyclodextrin(6-AnSeCD) was designed and synthesized to imitate the antioxidant enzyme glutathione peroxidase(GPX). The GPX activities of 6-AnSeCD and 6A,6A’-dicyclohexylamine-6B,6B’-diselenide-bis-β-cyclodextrin(6-CySeCD) were assessed in classical coupled reductase assay. 6-CySeCD exhibits better GPX activity than 6-AnSeCD in the reduction of H₂O₂ and cumenyl hydroperoxide by glutathione, respectively. And then, with the molecular dynamics(MD) simulations, the interaction between GPX mimics(6-CySeCD and 6-AnySeCD) and GSH were investigated. The MD results show great differences in the conformation and bond lengths between the each GPX mimics and the its substrate-enzyme complex, which demonstrate the possibility that such change might be the key factor for the bridge GPX mimics’ catalysis.

Key words: Glutathione peroxidase, Mimic, Molecular dynamics simulation, Docking

CLC Number:

O641

TrendMD:

ZHENG Qing-Chuan¹, LÜ Shao-Wu², ZHAO Yong-Shan¹, MU Ying², LUO Gui-Min², SUN Chia-Chung^1*. Effects of GSH on the Activity of Two Glutathione Peroxidase Mimics[J]. Chem. J. Chinese Universities, doi: .

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Effects of GSH on the Activity of Two Glutathione Peroxidase Mimics

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