Construction of a three-dimensional pharmacophore for Bcl-2 inhibitors by flexible docking and the multiple copy simultaneous search method

Bioorganic and Medicinal Chemistry

Volumn 15, Issue 19, 2007, Pages 6407-6417

  Zheng, Can Hui ^a   Zhou, You Jun ^a   Zhu, Ju ^a   Ji, Hai Tao ^b   Chen, Jun ^a   Li, Yao Wu ^a   Sheng, Chun Quan ^a   Lu, Jia Guo ^a   Jiang, Jun Hang ^a   Tang, Hui ^a   Song, Yun Long ^a  

^a SECOND MILITARY MEDICAL UNIVERSITY   (China)

^b NORTHWESTERN UNIVERSITY   (United States)

Author keywords

Bcl 2 inhibitor; Flexible docking; Multiple copy simultaneous search (MCSS); Pharmacophoric points; Three dimensional pharmacophore

Indexed keywords

PROTEIN BCL 2; PROTEIN INHIBITOR;

ANALYTIC METHOD; ARTICLE; DRUG BINDING; DRUG DESIGN; ENERGY TRANSFER; MOLECULAR DOCKING; PHARMACOPHORE; PROTEIN DOMAIN;

ALGORITHMS; ANTINEOPLASTIC AGENTS; BINDING SITES; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DESIGN; ENZYME INHIBITORS; HYDROGEN BONDING; LYMPHOMA, B-CELL; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL;

EID: 34547666802     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2007.06.052     Document Type: Article

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