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

Autores

  • 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

Palavras-chave:

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

Resumo

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.

                                                                                                                                    

 

 

 

 

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Biografia do Autor

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

Referências

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Publicado

2019-03-08

Como Citar

Muhammad, U., Uzairu, A., & Idris, S. O. (2019). QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDY ON THE INHIBITORY ACTIVITY OF COPPER SCHIFF BASE COMPLEXES AGAINST CANDIDA ALBICAN. The Journal of Engineering and Exact Sciences, 5(1), 0111–0124. https://doi.org/10.18540/jcecvl5iss1pp0111-0124

Edição

Seção

Physical Chemistry

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