Effective virtual screening strategy toward covalent ligands: Identification of novel NEDD8-activating enzyme inhibitors

Journal of Chemical Information and Modeling

Volumn 54, Issue 6, 2014, Pages 1785-1797

  Zhang, Shengping ^a   Tan, Jiani ^a   Lai, Zhonghui ^a   Li, Ying ^a   Pang, Junxia ^a   Xiao, Jianhu ^a   Huang, Zhangjian ^a   Zhang, Yihua ^a   Ji, Hui ^a   Lai, Yisheng ^a  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ACTIVATION; DISEASES; DYNAMICS; ENZYMES; MOLECULAR DYNAMICS; PHARMACODYNAMICS;

DYNAMIC STRUCTURE; E3 UBIQUITIN LIGASES; ENZYME INHIBITORS; INHIBITORY ACTIVITY; PHARMACOPHORE MODELING; PHARMACOPHORE MODELS; VIRTUAL SCREENING; VIRTUAL SCREENING STRATEGIES;

LIGANDS;

ENZYME INHIBITOR; LIGAND; UBA3 PROTEIN, HUMAN; UBIQUITIN PROTEIN LIGASE;

ANTAGONISTS AND INHIBITORS; CELL LINE; CHEMISTRY; DRUG DATABASE; DRUG DESIGN; HUMAN; METABOLISM; MOLECULAR DOCKING; MOLECULAR DYNAMICS;

CELL LINE; DATABASES, PHARMACEUTICAL; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; UBIQUITIN-ACTIVATING ENZYMES;

EID: 84903312205     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci5002058     Document Type: Article

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