Virtual screening for potential inhibitors of bacterial MurC and MurD ligases

Journal of Molecular Modeling

Volumn 18, Issue 3, 2012, Pages 1063-1072

  Tomašić, Tihomir ^a   Kovač, Andreja ^a   Klebe, Gerhard ^b   Blanot, Didier ^c   Gobec, Stanislav ^a   Kikelj, Danijel ^a   Mašić, Lucija Peterlin ^a  

^a UNIVERSITY OF LJUBLJANA   (Slovenia)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

^c UNIVERSITÉ PARIS SACLAY   (France)

Author keywords

ATP; Inhibitor; Multiple ligand; Mur ligase; Pharmacophore; Virtual screening

Indexed keywords

ADENOSINE TRIPHOSPHATE; BACTERIAL ENZYME; LIGASE INHIBITOR; MURC LIGASE; MURC LIGASE INHIBITOR; MURD LIGASE; MURD LIGASE INHIBITOR; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; ENZYME ANALYSIS; ENZYME BINDING; ENZYME INHIBITION; ESCHERICHIA COLI; NONHUMAN; PRIORITY JOURNAL; VIRTUAL SCREENING;

ADENOSINE TRIPHOSPHATE; ANTI-BACTERIAL AGENTS; BACTERIAL PROTEINS; BINDING, COMPETITIVE; COMPUTER SIMULATION; DRUG DISCOVERY; LIGASES; PEPTIDE SYNTHASES;

BACTERIA (MICROORGANISMS);

EID: 84861330100     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1139-8     Document Type: Article

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