In silico discovery of 2-amino-4-(2,4-dihydroxyphenyl)thiazoles as novel inhibitors of DNA gyrase B.
Basic Information
ID: ALA1159091
Journal: Bioorg Med Chem Lett
Title: In silico discovery of 2-amino-4-(2,4-dihydroxyphenyl)thiazoles as novel inhibitors of DNA gyrase B.
Authors: Brvar M, Perdih A, Oblak M, Masic LP, Solmajer T.
Abstract: Cyclothialidines are a class of bacterial DNA gyrase B (GyrB) subunit inhibitors, targeting its ATP-binding site. Starting from the available structural information on cyclothialidine GR122222X (2), an in silico virtual screening campaign was designed combining molecular docking calculations with three-dimensional structure-based pharmacophore information. A novel class of 2-amino-4-(2,4-dihydroxyphenyl)thiazole based inhibitors (5-9) with low micromolar antigyrase activity was discovered.
CiteXplore: 20045642
DOI: 10.1016/j.bmcl.2009.12.060
Patent ID: ┄