QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDY ON THE INHIBITORY ACTIVITY OF COPPER SCHIFF BASE COMPLEXES AGAINST CANDIDA ALBICAN

Abstract

Quantitative Structure Activity Relationship (QSAR) study was performed on Copper Schiff base complexes. Multiple Linear Regression analysis and genetic function algorithms was employed to derive QSAR model for better activity. The derived QSAR model having Squared Correlation Coefficient R2 = 0.8345, Cross Validation Squared Correlation Coefficient Q2 = 0.6681 and predicted R squared (R2pred ) = 0.5980. The predictive ability of the derived model was also confirmed by internal and external cross validation techniques. The QSAR model indicate that the descriptors (MATS4p) Moron autocorrelation of lag 4 weighed by polarizability,(RCI) Ring Complexity index, (G2m) 2nd component symmetry directional WHIM index/weighted by mass, BI0 [N-O] Presence/absence of N-O at topological distance 10 and (nF) Number of Fluorine atoms plays an important role in predicting the activities against anti-candida albican. The result obtained in this study was used in designing more potent Copper Complexes as anti-candida albican agents.

Keywords

• Candida albican, Copper Schiff base complex, Genetic Function Algorithm, QSAR