Prediction and Simulation on Interaction Between HIV-1 Envelope Protein gp 120 and Heparin

Abstract

Abstract: Molecular simulation software are used to investigate the interaction between HIV-1 envelope protein gp 120 and heparin. Monosaccharide, disaccharide and trisaccharide of heparin are used as the probe molecules to make a global search around protein gp 120. After statistics analysis, we found the most favorable binding domain on gp 120 to heparin, and got two binding model which could be used to interpret the phenomenon that heparin could inhibit HIV-1 in vitro very well by docking heparin hexasaccharide to the binding domain.

Key words: gp 120, Heparin binding domain, Probe, Docking

CLC Number:

O641

TrendMD:

YAN Zuo-Wei, HU Yuan-Dong, LI Song, JIANG Tao . Prediction and Simulation on Interaction Between HIV-1 Envelope Protein gp 120 and Heparin[J]. Chem. J. Chinese Universities, 2004, 25(3): 522.

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Prediction and Simulation on Interaction Between HIV-1 Envelope Protein gp 120 and Heparin

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