QSAR of some antifungal active benzoxazoles and benzimidazoles against C. albicans
Ankara Universitesi Eczacilik Fakultesi Dergisi, cilt.27, sa.1, ss.1-9, 1998 (Scopus, TRDizin)
- 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.