Biological Activity Of Synthesized 5-{1-[(4-Chlorophenyl)Sulfonyl]Piperidin-4-Yl}-2-Mercapto-1,3,4-Oxadiazo Le Derivatives Demonstrated By In Silico And Bsa Binding Studies

We synthesized a series of compounds bearing pharmacologically important 1,3,4-oxadiazole and piperidine moieties. Spectral data analysis by H-1-NMR,C-13-NMR, IR and EI-MS was used to elucidate the structures of the synthesized molecules. Docking studies explained the different types of interaction of the compounds with amino acids, while bovine scrum albumin (BSA) binding interactions showed their pharmacological effectiveness. Antibacterial screening of these compounds demonstrated moderate to strong activity against Salmonella typhi and Bacillus subtilis but only weak to moderate activity against the other three bacterial strains tested. Seven compounds were the most active members as acetyl cholinesterase inhibitors. All the compounds presented displayed strong inhibitory activity against urease. Compounds 71, 7m, 7n, 7o, 7p, 7r, 7u, 7v, 7x and 7v were highly active, with respective IC50 values of 2.14 +/- 0.003, 0.63 +/- 0.001, 2.17 +/- 0.006, 1.13 +/- 0.003, 1.21 +/- 0.005, 6.28 +/- 0.003, 2.39 +/- 0.005, 2.15 +/- 0.002, 2.26 +/- 0.003 and 2.14 +/- 0.002 mu M, compared to thiourea, used as the reference standard (IC50 = 21.25 +/- 0.15 mu M). These new urease inhibitors could replace existing drugs after their evaluation in comprehensive in vivo studies.