In silico structure-based design of a novel class of potent and selective small peptide inhibitor of Mycobacterium tuberculosis Dihydrofolate reductase, a potential target for anti-TB drug discovery

Molecular Diversity

Volumn 14, Issue 3, 2010, Pages 595-604

  Kumar, Manoj ^a   Vijayakrishnan, Rajakrishnan ^a   Subba Rao, Gita ^a  

^a ALL INDIA INSTITUTE OF MEDICAL SCIENCES   (India)

Author keywords

Anti TB drug; Dihydrofolate reductase; M. tuberculosis; Structure based drug design

Indexed keywords

BACTERIAL DNA; DIHYDROFOLATE REDUCTASE; DIHYDROFOLIC ACID; METHOTREXATE; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE; TETRAHYDROFOLIC ACID; TRIPEPTIDE; TUBERCULOSTATIC AGENT;

ARTICLE; BACTERIAL CELL; BACTERIAL GENE; CATALYSIS; CELL DEATH; COMPARATIVE STUDY; COMPUTER MODEL; CRYSTAL STRUCTURE; DNA SYNTHESIS; DRUG BINDING SITE; DRUG POTENCY; DRUG STRUCTURE; DRUG TARGETING; ENZYME ACTIVE SITE; ENZYME INHIBITION; ENZYME STRUCTURE; GENE STRUCTURE; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PRIORITY JOURNAL; REDUCTION; STRUCTURAL GENOMICS;

AMINO ACID SEQUENCE; ANTITUBERCULAR AGENTS; BINDING SITES; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; FOLIC ACID ANTAGONISTS; HUMANS; HYDROGEN BONDING; LIGANDS; METHOTREXATE; MICROBIAL SENSITIVITY TESTS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; MYCOBACTERIUM TUBERCULOSIS; ORNITHINE; PEPTIDES; PTERINS; REPRODUCIBILITY OF RESULTS; SUBSTRATE SPECIFICITY; TETRAHYDROFOLATE DEHYDROGENASE; TRIAZINES; TUBERCULOSIS;

EID: 78650174960     PISSN: 13811991     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11030-009-9172-6     Document Type: Article

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