Virtual screening yields inhibitors of novel antifungal drug target, benzoate 4-monooxygenase

Journal of Chemical Information and Modeling

Volumn 52, Issue 11, 2012, Pages 3053-3063

  Berne, Sabina ^a   Podobnik, Barbara ^b   Zupanec, Neja ^c   Novak, Metka ^c   Kraševec, Nada ^c   Turk, Samo ^d   Korošec, Branka ^c   Lah, Ljerka ^c   Šuligoj, Erika ^c   Stojan, Jure ^a   Gobec, Stanislav ^d   Komel, Radovan ^a,c  

^a UNIVERSITY OF LJUBLJANA   (Slovenia)

^b Lek dd   (Slovenia)

^c NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^d UNIVERSITY OF LJUBLJANA   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

BENZOIC ACID; BINDING ENERGY; CATALYST ACTIVITY; DETOXIFICATION;

ANTI-FUNGAL ACTIVITY; ANTIFUNGAL DRUGS; BINDING INTERACTION; CONSERVED PROTEINS; DRUG TARGETS; FOLLOW UP; VIRTUAL SCREENING;

FUNGI;

3 METHYL 4 (1H PYRROL 1 YL)BENZOIC ACID; 3-METHYL-4-(1H-PYRROL-1-YL)BENZOIC ACID; ANTIFUNGAL AGENT; BENZOATE 4 MONOOXYGENASE; BENZOIC ACID DERIVATIVE; CYTOCHROME P450; ENZYME INHIBITOR; FUNGAL PROTEIN; ISOENZYME; PYRROLE DERIVATIVE; RECOMBINANT PROTEIN;

ARTICLE; ASCOMYCETES; CHEMISTRY; DRUG ANTAGONISM; DRUG DESIGN; DRUG DEVELOPMENT; ENZYME ACTIVE SITE; MOLECULAR DOCKING; PROTEIN BINDING; RHODOTORULA; STRUCTURAL HOMOLOGY;

ANTIFUNGAL AGENTS; ASCOMYCOTA; BENZOATE 4-MONOOXYGENASE; BENZOATES; CATALYTIC DOMAIN; CYTOCHROME P-450 ENZYME SYSTEM; DRUG DESIGN; DRUG DISCOVERY; ENZYME INHIBITORS; FUNGAL PROTEINS; ISOENZYMES; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PYRROLES; RECOMBINANT PROTEINS; RHODOTORULA; STRUCTURAL HOMOLOGY, PROTEIN;

EID: 84870030300     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci3004418     Document Type: Article

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