eng Science and Education Publishing Journal of Materials Physics and Chemistry 2333-4444 2022-09-05 10 2 36 42 10.12691/jmpc-10-2-1 JMPC20221021 article Amon Benjamine ASSOMA benassoma@yahoo.fr 1 Siomenan COULIBALI 1 Tchambaga Etienne CAMARA 1 Patrick-Armand ACHI 1 Ane ADJOU 1 Laboratoire de Constitution et R¨¦action de la Mati¨¨re, UFR Sciences des Structures de la Mati¨¨re et Technologie, Universit¨¦ F¨¦lix Houphou?t-Boigny de Cocody, 22 BP 582 Abidjan 22, C?te d¡¯Ivoire 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. http://pubs.sciepub.com/jmpc/10/2/1/jmpc-10-2-1.pdf partition coefficient molar volume QSAR antibacterial activity