Exploring structure indenture for some Schiff bases as anti-Salmonella typhi drugs: A QSAR Approach


Ameji John, Awe Emmanuel Femi, Adedirin Oluwaseye, Olusupo Sabitu




There are many drugs available in the market for treating typhoid infection, but the emergence of multi-drug resistant strain of Salmonella typhi (S. typhi) has necessitated the exploration and development of newer structural moiety of Schiff bases as anti-S. typhi agents owing to their enormous inhibitory activity against this bacterium. In this present study, a Genetic function approximation (GFA) QSAR analysis of some selected Schiff bases with anti-S. typhi activity was performed using OD,1D, 2D and 3D descriptors resulting in the generation of three statistically significant models from which an octa-parametric model was selected as the most robust model  with R2 = 0.8589, R2adj = 0.8155, Q2 = 0.7437, R2 – Q2 = 0.1152, r2 – r02 / r2 =0.00, r2 – r‘02 / r2 = 0.0263, K = 1.0E-7, K’ = 0.1969. The optimization model hinted the dominant influence of the size descriptor ETA-Eta-B (Branching index EtaB relative to molecular size) on the observed anti-S. typhi activity of Schiff bases. It is envisaged that the QSAR results identified in this study will offer important structural insight into designing novel anti-S.typhi drugs from Schiff bases.




Salmonella typhi, QSAR, descriptors, Schiff bases, Typhoid infection


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DOI: https://doi.org/10.7439/ijasr.v2i2.2765

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