VSE knjižnice (vzajemna bibliografsko-kataložna baza podatkov COBIB.SI)
  • DNA gyrase B : in silico discovery of 2.4-dihydroxyphenylthiazoles as novel atpase inhibitors
    Perdih, Andrej, farmacevt ...
    The emergence of bacterial resistance to most of the clinically used antibiotics and the urgent need for the discovery of potent antibacterials with broad spectrum of efficacy and improved safety ... profile has revivedthe researchin this field. A challengefor the developmentof novelandeffectiveantibacterial agents are suitable and validated targets. One of the well established targets is the DNA gyrase S, a topoisomerase with an ATP-ase activity. In the absence of the ATP, DNA gyrase catalyzes only the relaxation of supercoiled DNA but not the introduction of negative supercoils.Cyclothialidines are a class of bacterial DNA gyrase S (GyrS) subunit inhibitors, targeting its ATPbinding site[4].Starting from the available structural information on cyclothialidine GR122222X (2), an in silico virtual screening campaign was designed based on three-dimensional pharmacophore information. A novel class of 2-amino-4-(2,4-dihydroxyphenyl)thiazole based inhibitors with low micromolar antigyrase activity was discovered.
    Vir: Interfacing chemical biology and drug discovery : RICT 2010 (Str. 101)
    Vrsta gradiva - prispevek na konferenci
    Leto - 2010
    Jezik - angleški
    COBISS.SI-ID - 4456986

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