Dynamics based pharmacophore models for screening potential inhibitors of mycobacterial cyclopropane synthase

Journal of Chemical Information and Modeling

Volumn 55, Issue 4, 2015, Pages 848-860

  Choudhury, Chinmayee ^a,b   Priyakumar, U Deva ^a   Sastry, G Narahari ^b  

^a INTERNATIONAL INSTITUTE OF INFORMATION TECHNOLOGY   (India)

^b INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

MAPPING; MOLECULAR DYNAMICS; MOLECULES; PHARMACODYNAMICS; PROPANE;

INHIBITORY ACTIVITY; MOLECULAR DYNAMICS SIMULATIONS; MULTI-DISCIPLINARY APPROACH; PHARMACOPHORE MAPPING; PHARMACOPHORE MODELS; POTENTIAL DRUG TARGETS; POTENTIAL INHIBITORS; RECEPTOR FLEXIBILITY;

CRYSTAL STRUCTURE;

CYCLOPROPANE SYNTHETASE; ENZYME INHIBITOR; METHYLTRANSFERASE;

ANTAGONISTS AND INHIBITORS; CHEMISTRY; DRUG SCREENING; ENZYMOLOGY; METABOLISM; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MYCOBACTERIUM TUBERCULOSIS; PROTEIN CONFORMATION;

DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; METHYLTRANSFERASES; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MYCOBACTERIUM TUBERCULOSIS; PROTEIN CONFORMATION;

EID: 84928660372     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500737b     Document Type: Article

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