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Structure-based discovery of substituted 4,5`-bithiazoles as novel DNA gyrase inhibitorsBrvar, Matjaž ...Bacterial DNA gyrase is a well-established and validated target for the development of novel antibacterials. Starting from the available structural information about the binding of the natural ... product inhibitor, clorobiocin, we identified a novel series of 4ʼ-methyl-N2-phenyl-[4,5ʼ-bithiazole]-2,2ʼ-diamine inhibitors of gyrase B witha low micromolar inhibitory activity, by implementing a two-step structure-based design procedure. This novel class of DNA gyrase inhibitors was extensively investigated by various techniques (differential scanning fluorimetry, surface plasmon resonance and microscale thermophoresis). The binding mode of the potent inhibitor 18 was revealed by X-ray crystallography,confirming our initial in silico binding model. Furthermore, the high resolution of the complex structure allowed for the placement of the Gly97-Ser108 flexible loop, thus revealing its role in binding of this class of compounds. The crystal structure of the complex protein G24 and inhibitor 18 provides valuable information for further optimization of this novel class of DNA gyrase B inhibitorsSource: Journal of medicinal chemistry. - ISSN 0022-2623 (Vol. 55, issue 14, 2012, str. 6413-6426)Type of material - article, component partPublish date - 2012Language - englishCOBISS.SI-ID - 4999450
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Database name | Field | Year |
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Links to authors' personal bibliographies | Links to information on researchers in the SICRIS system |
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Brvar, Matjaž | 29677 |
Perdih, Andrej, farmacevt | 25493 |
Renko, Miha, 1980- | 25629 |
Anderluh, Gregor, 1969- | 15686 |
Turk, Dušan, 1959- | 04988 |
Šolmajer, Tomaž | 01661 |
Source: Personal bibliographies
and: SICRIS
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