Pharmacophore optimization and design of competitive inhibitors of thymidine monophosphate kinase through molecular modeling studies

Chemical Biology and Drug Design

Volumn 78, Issue 5, 2011, Pages 826-834

  Chitre, Trupti S ^a   Kathiravan, Muthu K ^b   Bothara, Kailash G ^a   Bhandari, Shashikant V ^a   Jalnapurkar, Rajeshwar R ^a  

^a AISSMS COLLEGE OF PHARMACY   (India)

^b SINHGAD COLLEGE OF PHARMACY   (India)

Author keywords

2D quantitative structure activity relationship; 3D quantitative structure activity relationship; Docking; LeadGrow; Mycobacterium tuberculosis thymidine monophosphate kinase; New chemical entities; Pharmacophore optimization

Indexed keywords

ANTIMYCOBACTERIAL AGENT; THYMIDINE KINASE INHIBITOR; THYMIDINE MONOPHOSPHATE KINASE INHIBITOR; TUBERCULOSTATIC AGENT; UNCLASSIFIED DRUG;

ANTIMICROBIAL ACTIVITY; ARTICLE; COMPETITIVE INHIBITION; DRUG DESIGN; DRUG SCREENING; DRUG STRUCTURE; EXTERNAL VALIDITY; INTERNAL VALIDITY; MOLECULAR DOCKING; MOLECULAR MODEL; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TUBERCULOSIS;

BINDING SITES; COMPUTER SIMULATION; DRUG DESIGN; ENZYME INHIBITORS; MODELS, MOLECULAR; MYCOBACTERIUM TUBERCULOSIS; NUCLEOSIDE-PHOSPHATE KINASE; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

MYCOBACTERIUM TUBERCULOSIS;

EID: 80054107457     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2011.01200.x     Document Type: Article

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