Molecular Mechanism of Selective Binding of NMS-P118 to PARP-1 and PARP-2: A Computational Perspective

Wang, R; Cong, YL; Li, MX; Bao, JX; Qi, YF; Zhang, JZH

Qi, YF; Zhang, JZH (corresponding author), East China Normal Univ Shanghai, Sch Chem & Mol Engn, Shanghai Engn Res Ctr Mol Therapeut & New Drug De, Shanghai Key Lab Green Chem & Chem Proc, Shanghai, Peoples R China.; Qi, YF; Zhang, JZH (corresponding author), NYU Shanghai, NYU ECNU Ctr Computat Chem, Shanghai, Peoples R China.; Zhang, JZH (corresponding author), NYU, Dept Chem, New York, NY 10003 USA.; Zhang, JZH (corresponding author), Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan, Peoples R China.

FRONTIERS IN MOLECULAR BIOSCIENCES, 2020; 7 ():

Abstract

The nuclear protein poly (ADP-ribose) polymerase-1 (PARP-1) inhibitors have been proven effective to potentiate both chemotherapeutic agents and radio......

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