Combining cheminformatics methods and pathway analysis to identify molecules with whole-cell activity against mycobacterium tuberculosis

Pharmaceutical Research

Volumn 29, Issue 8, 2012, Pages 2115-2127

  Sarker, Malabika ^a   Talcott, Carolyn ^a   Madrid, Peter ^a   Chopra, Sidharth ^a   Bunin, Barry A ^b   Lamichhane, Gyanu ^c   Freundlich, Joel S ^a   Ekins, Sean ^b  

^a SRI INTERNATIONAL   (United States)

^b Collaborative Drug Discovery ^*  (United States)

^c JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

Bioinformatics; Cheminformatics; Collaborative drug discovery; Mycobacterium tuberculosis; Pharmacophore

Indexed keywords

DRUG METABOLITE; GLUCOSE 1,6 BISPHOSPHATE; ISONIAZID; N (2 FURYLMETHYL) N' [(5 NITRO 3 THIENYL)CARBONYL]THIOUREA; N [(5 NITRO 3 THIENYL)CARBONYL] N' (2 THIENYLMETHYL)THIOUREA; RIFAMPICIN; TUBERCULOSTATIC AGENT; UNCLASSIFIED DRUG;

ANALYTIC METHOD; ANIMAL EXPERIMENT; ANIMAL MODEL; ANTIBACTERIAL ACTIVITY; ARTICLE; BAYES THEOREM; CHEMINFORMATICS METHOD; CONTROLLED STUDY; DRUG IDENTIFICATION; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; DRUG TARGETING; GENETIC DATABASE; GENOME; IN VITRO STUDY; MATHEMATICAL COMPUTING; MINIMUM INHIBITORY CONCENTRATION; NONHUMAN; PATHWAY ANALYSIS; PHARMACOPHORE; PRIORITY JOURNAL; TUBERCULOSIS;

ANIMALS; ANTITUBERCULAR AGENTS; BACTERIAL PROTEINS; BAYES THEOREM; COMPUTATIONAL BIOLOGY; DATA MINING; DATABASES, FACTUAL; DRUG DISCOVERY; HUMANS; METABOLIC NETWORKS AND PATHWAYS; MODELS, MOLECULAR; MOLECULAR TARGETED THERAPY; MYCOBACTERIUM TUBERCULOSIS; TUBERCULOSIS;

EID: 84864482915     PISSN: 07248741     EISSN: 1573904X     Source Type: Journal    
DOI: 10.1007/s11095-012-0741-5     Document Type: Article

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