Property Analysis of Inhibitors-binding Site of Bcl-2 Protein

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Property Analysis of Inhibitors-binding Site of Bcl-2 Protein

ZHENG Can-Hui, ZHOU You-Jun*, ZHU Ju, CHEN Jun, LI Yao-Wu, SHENG Chun-Quan, SONG Yun-Long, LÜ Jia-Guo, JIANG Jun-Hang, LIU Na

Department of Medicinal Chemistry, School of Pharmacy, the Second Military Medical University, Shanghai 200433, China

Received:2007-02-02 Revised:1900-01-01 Online:2008-03-10 Published:2008-03-10
Contact: ZHOU You-Jun

Abstract

Abstract: Bcl-2 protein is a new target of anticancer drugs with a bright prospect now. The multiple copy simultaneous search(MCSS) methodology was used to analyze the inhibitors-binding site of Bcl-2. The results show that the inhibitors-binding site can be divided into five subsites(P1, L1, P2, P3, P4), the bottom of which is hydrophobic. And several important residues which can form interactions other than hydrophobic interactions distribute on the side and edge of the inhibitors-binding site. Energetically favorable positions and orientations of various functional groups determined by MCSS computing are consistent with these of important groups in high potent inhibitors, which can reversely guide the structure modification and novel design of inhibitors effectively.

Key words: Bcl-2 protein, Multiple copy simultaneous search, Inhibitor, Rational design

CLC Number:

O641

TrendMD:

ZHENG Can-Hui, ZHOU You-Jun*, ZHU Ju, CHEN Jun, LI Yao-Wu, SHENG Chun-Quan, SONG Yun-Long, LÜ Jia-Guo, JIANG Jun-Hang, LIU Na. Property Analysis of Inhibitors-binding Site of Bcl-2 Protein[J]. Chem. J. Chinese Universities, doi: .

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Property Analysis of Inhibitors-binding Site of Bcl-2 Protein

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