Structure-based in-silico rational design of a selective peptide inhibitor for thymidine monophosphate kinase of mycobacterium tuberculosis

Journal of Molecular Modeling

Volumn 17, Issue 5, 2011, Pages 1173-1182

  Kumar, Manoj ^a   Sharma, Sujata ^a   Srinivasan, Alagiri ^a   Singh, Tej P ^a   Kaur, Punit ^a  

^a ALL INDIA INSTITUTE OF MEDICAL SCIENCES   (India)

Author keywords

Drug design; M.tb; Molecular docking; Peptide inhibitor; Thymidine monophosphate kinase

Indexed keywords

PHOSPHOTRANSFERASE; PHOSPHOTRANSFERASE INHIBITOR; THYMIDYLATE KINASE; TUBERCULOSTATIC AGENT; UNCLASSIFIED DRUG;

ARTICLE; CONTROLLED STUDY; DRUG BINDING; DRUG BINDING SITE; DRUG DESIGN; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PRIORITY JOURNAL; VALIDATION STUDY;

ANTITUBERCULAR AGENTS; BACTERIAL PROTEINS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HUMANS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MYCOBACTERIUM TUBERCULOSIS; NUCLEOSIDE-PHOSPHATE KINASE; OLIGOPEPTIDES; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; SEQUENCE HOMOLOGY, AMINO ACID; THYMINE NUCLEOTIDES; TUBERCULOSIS;

MYCOBACTERIUM TUBERCULOSIS;

EID: 79958112003     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0821-6     Document Type: Article

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