Design of inhibitors of the MurF enzyme of Streptococcus pneumoniae using docking, 3D-QSAR, and de novo design

Journal of Chemical Information and Modeling

Volumn 47, Issue 5, 2007, Pages 1839-1846

  Khedkar, Santosh A ^a   Malde, Alpeshkumar K ^a   Coutinho, Evans C ^a  

^a BOMBAY COLLEGE OF PHARMACY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; ANTIBIOTICS; BACTERIA; BIOSYNTHESIS; CATALYSIS; PEPTIDES;

LIGATING ENZYMES; PEPTIDOGLYCAN SYNTHESIS; RESIDUE INTERACTION ANALYSIS;

ENZYME INHIBITION;

DRUG RECEPTOR; ENZYME INHIBITOR; LIGAND; PEPTIDE SYNTHASE; UDP N ACETYLMURAMOYLALANYL D GLUTAMYLLYSINE D ALANYL D ALANINE LIGASE; UDP-N-ACETYLMURAMOYLALANYL-D-GLUTAMYLLYSINE-D-ALANYL-D-ALANINE LIGASE;

ARTICLE; BINDING SITE; BIOLOGICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; DRUG ANTAGONISM; DRUG DESIGN; DRUG EFFECT; ENZYMOLOGY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STREPTOCOCCUS PNEUMONIAE; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; LIGANDS; MODELS, BIOLOGICAL; PEPTIDE SYNTHASES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, DRUG; SOFTWARE; STREPTOCOCCUS PNEUMONIAE; THERMODYNAMICS;

EID: 35248826518     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci600568u     Document Type: Article

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