3D-QSAR, molecular docking studies, and binding mode prediction of thiolactomycin analogs as mtFabH inhibitors

Journal of Enzyme Inhibition and Medicinal Chemistry

Volumn 25, Issue 2, 2010, Pages 240-249

  Lu, Xiaoyun ^a   Chen, Yadong ^a   You, Qidong ^a  

^a CHINA PHARMACEUTICAL UNIVERSITY   (China)

Author keywords

3D QSAR; Binding mode; Docking studies; MtFabH; Thiolactomycin analogs

Indexed keywords

3 OXOACYL ACYL CARRIER PROTEIN SYNTHASE; ENZYME INHIBITOR; THIOLACTOMYCIN;

ANTIMICROBIAL ACTIVITY; BINDING AFFINITY; COMPARATIVE STUDY; CONFERENCE PAPER; CRYSTAL STRUCTURE; DRUG SYNTHESIS; ENZYME INHIBITION; HYDROGEN BOND; MOLECULAR DOCKING; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

3-OXOACYL-(ACYL-CARRIER-PROTEIN) SYNTHASE; ANIMALS; ANTI-BACTERIAL AGENTS; BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HUMANS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MYCOBACTERIUM TUBERCULOSIS; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THIOPHENES; TUBERCULOSIS; USER-COMPUTER INTERFACE;

MYCOBACTERIUM TUBERCULOSIS;

EID: 77949471491     PISSN: 14756366     EISSN: 14756374     Source Type: Journal    
DOI: 10.3109/14756360903049059     Document Type: Conference Paper

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