Inhibitory mode of indole-2-carboxamide derivatives against HLGPa: Molecular docking and 3D-QSAR analyses

Bioorganic and Medicinal Chemistry

Volumn 12, Issue 15, 2004, Pages 4147-4157

  Liu, Guixia ^a   Zhang, Zhenshan ^a   Luo, Xiaomin ^a   Shen, Jianhua ^a   Liu, Hong ^a   Shen, Xu ^a   Chen, Kaixian ^a   Jiang, Hualiang ^a  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

3D QSAR; CoMFA; CoMSIA; Docking; HLGPa; Indole 2 carboxamide inhibitors

Indexed keywords

AMIDE; GLYCOGEN PHOSPHORYLASE; HYDROGEN;

ACCURACY; ANALYTIC METHOD; ARTICLE; BINDING AFFINITY; CALCULATION; CONFORMATION; CORRELATION ANALYSIS; DRUG ACTIVITY; DRUG BINDING; DRUG CONFORMATION; DRUG DESIGN; DRUG POTENCY; DRUG STRUCTURE; ENERGY; ENZYME INHIBITION; EXPERIMENT; GENETIC ALGORITHM; HYDROGEN BOND; INHIBITION KINETICS; MODEL; PREDICTION; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; VALIDATION PROCESS;

BINDING SITES; COMPUTER SIMULATION; ENZYME INHIBITORS; GLYCOGEN PHOSPHORYLASE; HUMANS; HYDROGEN BONDING; IMAGING, THREE-DIMENSIONAL; INDOLES; LIVER; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

LAMARCKIA;

EID: 3042747902     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2004.05.023     Document Type: Article

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