QSARs of some Novel Isosteric Heterocyclic with Antifungal Activity


Oleg UrsuAdina CostescuMircea V. DiudeaBazil Parv


Abstract

carpathian_2004_20_267_274_abstract

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carpathian_2004_20_267_274

QSAR analysis of a set of 2,5,6-trisubstituted benzoxazoles, benzimidazoles and 2- substituted oxazolo(4,5-b)pyridines, tested for growth inhibitory activity against Candida albicans, was performed by using a multiple regression procedure. The activity contributions for either heterocyclic ring systems or substituent effects of these compounds were determined from the correlation equations and the lead optimization is described. The obtained QSAR revealed that the oxazolo(4,5-b)pyridine ring, substituted by a benzyl moiety at position 2, was the most favorable structure among the heterocyclic nuclei. Moreover, the fifth position in the fused ring system is found more significant than the other positions in rising up the activity.

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Author(s)

Costescu, Adina, Diudea, Mircea V., Pârv, Bazil, Ursu, Mihail