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QSAR and Combinatorial Science

Volumn 25, Issue 7, 2006, Pages 629-636

Application of a receptor pruning methodology to the enoyl-ACP reductase from Escherichia coli (FabI)

(2) Pasqualoto, Kerly F M a Ferreira, Márcia M C a

a UNIVERSITY OF CAMPINAS (Brazil)

Author keywords

Diazaborines; Enoyl acp reductase; Receptor pruning model; Structure based design

Indexed keywords

CRYSTAL STRUCTURE; LIGANDS; MOLECULAR DYNAMICS;

ACTIVE SITE; COMPUTATIONAL RESOURCES; CONFORMATIONAL ENSEMBLE; CRYSTALS STRUCTURES; DIAZABORINES; DYNAMICS SIMULATION; ENOYL-ACP REDUCTASE; RECEPTOR MODELING; RECEPTOR PRUNING MODEL; STRUCTURE-BASED DESIGNS;

ESCHERICHIA COLI;

2 (ORGANOSULFONYL) 1,2,DIHYDRO 1 HYDROXY 2,3,1 BENZODIAZABORINE DERIVATIVE; 2 (ORGANOSULFONYL) 1,2,DIHYDRO 1 HYDROXYFURO[3,2 D][1,2,3]DIAZABORINE DERIVATIVE; 2 (ORGANOSULFONYL) 1,2,DIHYDRO 1 HYDROXYPYRROLO[3,2 D][1,2,3]DIAZABORINE; 2 (ORGANOSULFONYL) 1,2,DIHYDRO 1 HYDROXYTHIENO[2,3 D][1,2,3]DIAZABORINE; 2 (ORGANOSULFONYL) 1,2,DIHYDRO 1 HYDROXYTHIENO[3,2 D][1,2,3]DIAZABORINE DERIVATIVE; ANTIINFECTIVE AGENT; BACTERIAL ENZYME; ENOYL ACP REDUCTASE; FATTY ACID SYNTHASE; SULFADIAZINE; TUBERCULOSTATIC AGENT; UNCLASSIFIED DRUG;

ARTICLE; BACTERIAL STRAIN; BINDING KINETICS; COMPUTER PROGRAM; COMPUTER SIMULATION; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME BINDING; ENZYME STRUCTURE; ESCHERICHIA COLI; MINIMUM INHIBITORY CONCENTRATION; MOLECULAR DYNAMICS; MOLECULAR MODEL; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PRIORITY JOURNAL; RECEPTOR DOWN REGULATION; THERMODYNAMICS;

ESCHERICHIA COLI; MYCOBACTERIUM TUBERCULOSIS;

EID: 33746353678 PISSN: 1611020X EISSN: 16110218 Source Type: Journal
DOI: 10.1002/qsar.200530182 Document Type: Article

Times cited : (6)

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