QSARs of some novel isosteric heterocyclics with antifungal activity

QSAR analysis of a set of previously synthesized 2,5,6-trisubstituted benzo xazole, benzimidazole and 2-substituted oxazolo(4,5-b)pyridine derivatives tested for growth inhibitory activity against Candida albicans, was perform ed by using the computer-assisted multiple regression procedure. The activi ty contributions for either heterocyclic ring systems or substituent effect s of these compounds were determined from the correlation equation and the predictions for the lead optimization were described. The resulting QSAR re vealed that the oxazolo(4,5-b)pyridine ring system with the substitution of a benzyl moiety at position 2 was the most favourable structure among the heterocyclic nuclei. Moreover, the fifth position in the fused ring system is found more significant than the other positions in improving the activit y.