DFT and GA Studies on the QSAR of 2-aryl-5-nitro-1H-indole derivatives as NorA efflux pump inhibitors

Journal of Molecular Modeling

Volumn 14, Issue 9, 2008, Pages 807-812

  Dai, Yujie ^a   Zhang, Xu ^a   Zhang, Xiuli ^b   Wang, Huanjie ^c   Lu, Zhansheng ^a  

^a TIANJIN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b UNIVERSITY OF MISSOURI   (United States)

^c SHANDONG UNIVERSITY   (China)

Author keywords

2 aryl 5 nitro 1H indole; DFT; Efflux pump inhibitor; Genetic algrithum; QSAR

Indexed keywords

2 (2 AZIDOMETHYL 5 PHENOXYPHENYL) 5 NITRO 1H INDOLE; 2 ARYL 5 NITRO 1H INDOLE DERIVATIVE; BERBERINE; CARRIER PROTEIN; INDOLE DERIVATIVE; NORA EFFLUX PUMP PROTEIN; PROTEIN INHIBITOR;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DRUG STRUCTURE; ELECTRICITY; ENERGY; GENETIC ALGORITHM; MATHEMATICAL COMPUTING; MINIMUM INHIBITORY CONCENTRATION; NONHUMAN; PARTIAL LEAST SQUARES REGRESSION; PREDICTION; PRIORITY JOURNAL; PROTEIN EXPRESSION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STAPHYLOCOCCUS AUREUS;

ALGORITHMS; BACTERIAL PROTEINS; INDOLES; LEAST-SQUARES ANALYSIS; MICROBIAL SENSITIVITY TESTS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; MULTIDRUG RESISTANCE-ASSOCIATED PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; STRUCTURE-ACTIVITY RELATIONSHIP;

STAPHYLOCOCCUS AUREUS;

EID: 48449095018     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0328-6     Document Type: Article

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