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

Arisoy M., ARPACI Ö.

Ankara Universitesi Eczacilik Fakultesi Dergisi, cilt.40, sa.1, ss.1-15, 2016 (Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 40 Sayı: 1
  • Basım Tarihi: 2016
  • Doi Numarası: 10.1501/eczfak-0000000575
  • Dergi Adı: Ankara Universitesi Eczacilik Fakultesi Dergisi
  • Derginin Tarandığı İndeksler: Scopus
  • Sayfa Sayıları: ss.1-15
  • Anahtar Kelimeler: Antibacterial activity, Benzoxazole, Docking, Molecular modelling
  • Ankara Üniversitesi Adresli: Evet

Özet

© 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.