Abstract
An efficient and practical synthesis of 3-(4-alkylphenyl) diazenyl)-5,7-di(hetar-2-yl) pyrazolo[1,5-a] pyrimidin-2-amine, 4,6 Dihetarylpyrimidin-2-amine and Ethyl 2-oxo-4,6-di(hetar-2-yl) cyclohex-3-encarboxylate derivatives. The structures of the various synthesized heterocyclic compounds were assigned on the basis of elemental analysis, IR-and 1H NMR-spectral data, and MS: MS. An inverse virtual screening in silico approach has been applied to hetaryl compounds to screen their efficacy against proteins involved in malarial processes, with the aim of directing future experimental assays. Docking studies were performed on a panel of 94 protein targets extracted from the Protein Data Bank, to analyze their possible interactions with the hetaryl compounds that were synthesized.