Identification of novel inhibitors of UDP-galactopyranose mutase by structure-based virtual screening

Molecular Informatics

Volumn 30, Issue 10, 2011, Pages 873-883

  Karunan Partha, Sarathy ^a,b   Sadeghi Khomami, Ali ^a,b   Cren, Sylvaine ^b   Robinson, Richard I ^b   Woodward, Simon ^b   Slowski, Kate ^a   Berast, Lindsey ^a   Zheng, Blake ^c   Thomas, Neil R ^b   Sanders, David A R ^a  

^a UNIVERSITY OF SASKATCHEWAN   (Canada)

^b UNIVERSITY OF NOTTINGHAM   (United Kingdom)

^c UNIVERSITY OF ALBERTA   (Canada)

Author keywords

Cell wall; Inhibitors; UDP galactopyranose mutase

Indexed keywords

BIOCHEMISTRY; BIOSYNTHESIS; CELL MEMBRANES; ESCHERICHIA COLI; LEAD COMPOUNDS;

BACTERIAL CELLS; CATALYSE; CELL WALL BIOSYNTHESIS; CELL WALLS; GALACTOFURANOSE; INHIBITOR; STRUCTURE-BASED; UDP-GALACTOPYRANOSE; UDP-GALACTOPYRANOSE MUTASE; VIRTUAL SCREENING;

ENZYME INHIBITION;

ENZYME INHIBITOR; FLAVOPROTEIN; UNCLASSIFIED DRUG; URIDINE DIPHOSPHATE GALACTOFURANOSE; URIDINE DIPHOSPHATE GALACTOPYRANOSE MUTASE;

ARTICLE; BACTERIAL CELL WALL; BIOSYNTHESIS; CATALYSIS; CHEMICAL STRUCTURE; COMPUTER MODEL; DEINOCOCCUS RADIODURANS; ENZYME ACTIVE SITE; ENZYME INHIBITION; ESCHERICHIA COLI; IC 50; KLEBSIELLA PNEUMONIAE; MOLECULAR DOCKING; MOLECULAR LIBRARY; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION;

BACTERIA (MICROORGANISMS); DEINOCOCCUS RADIODURANS; ESCHERICHIA COLI; KLEBSIELLA PNEUMONIAE; MYCOBACTERIUM TUBERCULOSIS;

EID: 80054054462     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201100085     Document Type: Article

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