Structure-based optimization of azole antifungal agents by CoMFA, CoMSIA, and molecular docking

Journal of Medicinal Chemistry

Volumn 49, Issue 8, 2006, Pages 2512-2525

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

^a SECOND MILITARY MEDICAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFUNGAL AGENT; BENZYLAMINE DERIVATIVE; FLUCONAZOLE; ITRACONAZOLE; KETOCONAZOLE; PYRROLE DERIVATIVE; STEROL 14ALPHA DEMETHYLASE; TERBINAFINE;

ANTIFUNGAL ACTIVITY; ARTICLE; ASPERGILLUS FUMIGATUS; CANDIDA; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CRYPTOCOCCUS NEOFORMANS; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME ACTIVE SITE; FONSECAEA PEDROSOI; HYDROGEN BOND; HYDROPHOBICITY; MINIMUM INHIBITORY CONCENTRATION; MOLECULAR DOCKING; MOLECULAR INTERACTION; MOLECULAR MODEL; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; SPOROTHRIX SCHENCKII; STRUCTURE ANALYSIS; TRICHOPHYTON RUBRUM;

ANTIFUNGAL AGENTS; AZOLES; BINDING SITES; DATABASES, FACTUAL; FUNGI; HYDROGEN BONDING; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33646109826     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm051211n     Document Type: Article

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