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Bioorganic and Medicinal Chemistry

Volumn 20, Issue 8, 2012, Pages 2572-2580

In silico discovery and biophysical evaluation of novel 5-(2-hydroxybenzylidene) rhodanine inhibitors of DNA gyrase B

(7) Brvar, Matjaž a Perdih, Andrej a Hodnik, Vesna b Renko, Miha c Anderluh, Gregor a,b Jerala, Roman a Solmajer, Tom a

a NATIONAL INSTITUTE OF CHEMISTRY (Slovenia)

b UNIVERSITY OF LJUBLJANA (Slovenia)

c JO EF STEFAN INSTITUTE (Slovenia)

Author keywords

Antibacterial agents; DNA gyrase enzyme; Drug design; Molecular docking; Virtual screening

Indexed keywords

2 AMINO 4 (2,4 DIHYDROXYPHENYL)THIAZOLE DERIVATIVE; 2,4 DIHYDROXYPHENYLTHIAZOLE DERIVATIVE; 3 CARBOXYLPHENYL RHODANINE DERIVATIVE; 4 NITROPHENYL RHODANINE DERIVATIVE; 5 (2 HYDROXYBENZYLIDENE)RHODANINE DERIVATIVE; CEFUROXIME; DNA TOPOISOMERASE (ATP HYDROLYSING) B; GENTAMICIN; GR 122222X; GYRASE INHIBITOR; NOVOBIOCIN; RHODANINE; THIAZOLE DERIVATIVE; THIOPHENE DERIVATIVE; UNCLASSIFIED DRUG;

AMINO TERMINAL SEQUENCE; ANTIBACTERIAL ACTIVITY; ANTIBIOTIC SENSITIVITY; ARTICLE; BINDING SITE; BIOPHYSICS; CHEMICAL MODIFICATION; COMPLEX FORMATION; COMPUTER MODEL; CONCENTRATION RESPONSE; CONTROLLED STUDY; DATA BASE; DRUG BINDING; DRUG SCREENING; DRUG SOLUBILITY; ENTEROCOCCUS FAECALIS; ENZYME ACTIVITY; ENZYME INHIBITION; HAEMOPHILUS INFLUENZAE; IC 50; IN VITRO STUDY; MATHEMATICAL COMPUTING; MOLECULAR DOCKING; MOLECULAR WEIGHT; NONHUMAN; PHARMACOPHORE; PROTEIN EXPRESSION; PROTEIN INTERACTION; PROTEIN STABILITY; PROTEIN TARGETING; STANDARD; STAPHYLOCOCCUS AUREUS; STRUCTURE ACTIVITY RELATION; SUBSTITUTION REACTION; VALIDATION PROCESS;

ANTI-BACTERIAL AGENTS; BENZYLIDENE COMPOUNDS; DNA GYRASE; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DISCOVERY; ENTEROCOCCUS FAECALIS; ENZYME INHIBITORS; HAEMOPHILUS INFLUENZAE; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; RHODANINE; STAPHYLOCOCCUS AUREUS; STRUCTURE-ACTIVITY RELATIONSHIP;

BACTERIA (MICROORGANISMS);

EID: 84859422633 PISSN: 09680896 EISSN: 14643391 Source Type: Journal
DOI: 10.1016/j.bmc.2012.02.052 Document Type: Article

Times cited : (50)

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