3D-QSAR and molecular docking studies on benzothiazole derivatives as Candida albicans N-myristoyltransferase inhibitors

European Journal of Medicinal Chemistry

Volumn 42, Issue 4, 2007, Pages 477-486

  Sheng, Chunquan ^a   Zhu, Jie ^a   Zhang, Wannian ^a   Zhang, Min ^a   Ji, Haitao ^a   Song, Yunlong ^a   Xu, Hui ^a   Yao, Jianzhong ^a   Miao, Zhenyuan ^a   Zhou, Youjun ^a   Zhu, Jü ^a   Lü, Jiaguo ^a  

^a SECOND MILITARY MEDICAL UNIVERSITY   (China)

Author keywords

3D QSAR; Antifungal; Benzothiazole; Molecular docking; N Myristoyltransferase inhibitors

Indexed keywords

BENZOTHIAZOLE DERIVATIVE; PROTEIN N MYRISTOYLTRANSFERASE INHIBITOR;

ANTIFUNGAL ACTIVITY; ARTICLE; BINDING SITE; CANDIDA ALBICANS; DRUG DESIGN; ENZYME ACTIVE SITE; ENZYME BINDING; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DOCKING; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ACYLTRANSFERASES; BENZOTHIAZOLES; BINDING SITES; BINDING, COMPETITIVE; CANDIDA ALBICANS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; INHIBITORY CONCENTRATION 50; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN STRUCTURE, TERTIARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 34047153255     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2006.11.001     Document Type: Article

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