QSAR of some antifungal active benzoxazoles and benzimidazoles against C. albicans

YILDIZ İ.

Ankara Universitesi Eczacilik Fakultesi Dergisi, cilt.27, sa.1, ss.1-9, 1998 (Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 27 Sayı: 1
  • Basım Tarihi: 1998
  • Dergi Adı: Ankara Universitesi Eczacilik Fakultesi Dergisi
  • Derginin Tarandığı İndeksler: Scopus, TR DİZİN (ULAKBİM)
  • Sayfa Sayıları: ss.1-9
  • Anahtar Kelimeler: Antifungal activity, Benzimidazole, Benzoxazole, Free-Wilson analysis, QSAR
  • Ankara Üniversitesi Adresli: Evet

Özet

In this study, QSAR analysis of some isosteric heterocyclic compounds including benzoxazole and benzimidazole derivatives were studied for the antifungal activity against Candida albicans. The Free-Wilson approach is a valuable alternative tool in QSAR analysis for evaluating the lead generation and/or optimization in drug design. Predictions for the lead optimization in this series of compounds have been described by the results obtained from Free-Wilson analysis with the determination of the activity contributions of the performed structural descriptors. The results of Free-Wilson analysis suggest that having 2-cyclohexylethyl moiety at the 2nd position on the heterocyclic system is significant for the antifungal activity and 5-Cl group is the most favorable substituent among the others.