Molecular modelling studies of some benzoxazole derivatives Bazi benzoksazol türevlerinin moleküler modelleme çalişmalari


Ankara Universitesi Eczacilik Fakultesi Dergisi, vol.40, no.1, pp.1-15, 2016 (Refereed Journals of Other Institutions) identifier

  • Publication Type: Article / Article
  • Volume: 40 Issue: 1
  • Publication Date: 2016
  • Doi Number: 10.1501/eczfak-0000000575
  • Title of Journal : Ankara Universitesi Eczacilik Fakultesi Dergisi
  • Page Numbers: pp.1-15
  • Keywords: Antibacterial activity, Benzoxazole, Docking, Molecular modelling


© 2016 University of Ankara. All rights reserved.Molecular modelling studies were also carried out. Pharmacophore models were generated with best docked conformations of biologically active fluroquinolone antibiotics into DNA gyrase of S. aureus. New benzoxazole scaffold were designed which maps to the best pharmacophore model. It is suggested that benzoxazole compounds with new scaffold may be synthesized, assayed for antibacterial activity and DNA gyrase inhibition, which mayresult in discovering lead compounds and reveal mechanism of action of these derivatives.