PREDICTION OF BIOLOGICAL ACTIVITY BY MEANS OF SYNTHESIS AND QSAR MODEL OF PHENYLHYDRAZONE BASED ON METHYL 4-FORMYLBENZOATE

In the submitted article, on the basis of methyl 4-formylbenzoate, the corresponding phenylhydrazones were synthesized and their structure was confirmed by NMR. A computer simulation was carried out to assess the possible toxicological risks, antiviral, antibacterial, antifungal activities and antiretroviral activities of the compounds, taking into account the high biological activity of phenylhydrazones, in particular the benzoate group. Five online computer programs were used for this: Gusar (Acute Rat Toxicity), PASS Online (AntiVir-Pred), PASS Online (AntiBac-Pred), PASS Online (AntiFun-Pred), PASS Online (AntiHiv-Pred). The predictions of toxicity and antiviral, antibacterial, antifungal activations and antiretroviral activity using the mentioned programs are based on computer learning based on the structural similarity of molecules, widespread character traits and predetermined real (in vitro and in vivo) models, resulting in predicted biological activity of existing and virtual compounds. The results obtained are satisfactory and may provide information about the existence of the biological activity of the compounds mentioned.