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

Umma Muhammad; Adamu Uzairu; Sulaiman Ola Idris

doi:10.18540/jcecvl5iss1pp0111-0124

Autores/as

Umma Muhammad Ahmadu Bello University zaria
Adamu Uzairu Ahmadu Bello Univeristy
Sulaiman Ola Idris Ahmadu Bello University

DOI:

https://doi.org/10.18540/jcecvl5iss1pp0111-0124

Palabras clave:

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

Resumen

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 (R²_pred ) = 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) 2^nd 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.

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Biografía del autor/a

Umma Muhammad, Ahmadu Bello University zaria

Pre-ND science and technology, Principal lecturer

Adamu Uzairu, Ahmadu Bello Univeristy

Chemistry, Professor

Sulaiman Ola Idris, Ahmadu Bello University

Chemistry, Professor

Citas

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