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Article

QSAR Study of 2-benzylthiopyrimidine Derivatives with Antibacterial Activity on Staphylococcus Aureus

1Laboratoire de Constitution et Réaction de la Matière, UFR Sciences des Structures de la Matière et Technologie, Université Félix Houphouët-Boigny de Cocody, 22 BP 582 Abidjan 22, Côte d’Ivoire


Journal of Materials Physics and Chemistry. 2022, Vol. 10 No. 2, 36-42
DOI: 10.12691/jmpc-10-2-1
Copyright © 2022 Science and Education Publishing

Cite this paper:
Amon Benjamine ASSOMA, Siomenan COULIBALI, Tchambaga Etienne CAMARA, Patrick-Armand ACHI, Ane ADJOU. QSAR Study of 2-benzylthiopyrimidine Derivatives with Antibacterial Activity on Staphylococcus Aureus. Journal of Materials Physics and Chemistry. 2022; 10(2):36-42. doi: 10.12691/jmpc-10-2-1.

Correspondence to: Amon  Benjamine ASSOMA, Laboratoire de Constitution et Réaction de la Matière, UFR Sciences des Structures de la Matière et Technologie, Université Félix Houphouët-Boigny de Cocody, 22 BP 582 Abidjan 22, Côte d’Ivoire. Email: benassoma@yahoo.fr

Abstract

This work presents a Quantitative Structure-Activity Relationship (QSAR) study of twenty new 2-benzylthioprymidine derivatives that possess antibacterial activity. The antibacterial activity of these compounds was evaluated on a multi-resistant Staphylococcus aureus (S. aureus) strain. The concentrations that inhibit 50% of S. aureus (IC50) were determined as antibacterial parameters by the microdilution method. The results revealed that all the synthesized compounds showed significant antibacterial activity against the tested germ. A mathematical relationship was established by Non-Linear Multiple Regression (NLMR) between the potential inhibitory concentration (PIC50) of the twenty compounds and physicochemical parameters such as the Partition coefficient (LogP), the Molar Volume (MV), the Ionisation Potential (IP), the Electronic Affinity (EA) and the Carbon-Sulfur bond length [l(C-S)]. This mathematical relationship will be used to predict the antibacterial activity of other 2-benzylthioprymidine derivatives.

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