QSARs OF SOME NOVEL BENZOXAZOLE, BENZIMIDAZOLE AND OXAZOLO(4,5-b)PYRIDINE DERIVATIVES AGAINST : BAZI BENZOKSAZOL, BENZİMİDAZOL VE OKSAZOLO(4,5-b)PİRİDİN TÜREVLERİNİN C. albicans'a KARŞI KANTİTATİF Y
İlkay ÖREN, Özlem Temiz‐Arpacı, İsmail Yalçın, Esin Akı ŞENER · Ankara Universitesi Eczacilik Fakultesi Dergisi · 2008
For QSAR analysis of a set of previously synthesized 2,5,6-trisubstituted benzoxazole, benz.imidazole and 2-substituted oxazolo(4,5-b)pyridine derivatives tested for growth inhibitory activity against Candida albicans, was peiformed by using the computer-assisted multiple regression procedure.The activity contributions for either heterocyclic ring systems or substituent effects of these compounds were determined from the correlation equation for predictions of the lead optimization.The resulting QSAR revealed that the oxazolo(4,5-b)pyridine ring system substituted with a benzyl moiety at position 2 was the most favourable structure among the analysed fused ring systems.Moreover, the 5 ' position in the heterocyclic nucleus was found more significant than the other positions for improving the activity.