Knowledge based identification of potent antitubercular compounds using structure based virtual screening and structure interaction fingerprints

Journal of Chemical Information and Modeling

Volumn 49, Issue 1, 2009, Pages 35-42

  Kumar, Ashutosh ^a   Chaturvedi, Vinita ^a   Bhatnagar, Shalini ^a   Sinha, Sudhir ^a   Siddiqi, Mohammad Imran ^a  

^a CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BONE; CELL CULTURE; CHEMOTHERAPY; HYDROGEN BONDS; KNOWLEDGE BASED SYSTEMS; MAMMALS; MICROWAVE INTEGRATED CIRCUITS;

ADDITIONAL KNOWLEDGE; ANTITUBERCULAR ACTIVITIES; ANTITUBERCULAR AGENTS; FAVORABLE INTERACTIONS; HYDROGEN BONDING INTERACTIONS; MOLECULAR DOCKING; MULTIDRUG RESISTANCE; MYCOBACTERIUM TUBERCULOSIS;

STRUCTURAL OPTIMIZATION;

ENZYME INHIBITOR; NUCLEOSIDE MONOPHOSPHATE KINASE; THYMIDYLATE KINASE; TUBERCULOSTATIC AGENT;

ANIMAL; ARTICLE; BONE MARROW CELL; CERCOPITHECUS; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER INTERFACE; DRUG ANTAGONISM; DRUG EFFECT; DRUG SCREENING; ENZYME ACTIVE SITE; ENZYMOLOGY; INFORMATION SCIENCE; KNOWLEDGE BASE; MOUSE; MYCOBACTERIUM TUBERCULOSIS; VERO CELL;

ANIMALS; ANTITUBERCULAR AGENTS; BONE MARROW CELLS; CATALYTIC DOMAIN; CERCOPITHECUS AETHIOPS; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; INFORMATICS; KNOWLEDGE BASES; MICE; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MYCOBACTERIUM TUBERCULOSIS; NUCLEOSIDE-PHOSPHATE KINASE; USER-COMPUTER INTERFACE; VERO CELLS;

EID: 61949212798     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci8003607     Document Type: Article

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