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Biological, docking and BSA binding studies of 1,4-disubstituted piperdine containing 1,2,4-triazoles: Comparative synthesis leveraging microwave assisted and conventional protocols
1  Department of Chemistry, University of Sahiwal, Sahiwal-57000, Pakistan
Academic Editor: Julio A. Seijas


A biologically effective study regarding the synthesis of a library of hybrids based on 1,2,4-triazole, propanamides and piperidine was performed. The targeted hybrids, 9a-9l, were synthesized through multistep protocol followed by a comparison of conventional and microwave assisted methodologies. Initially the carboxylate 3 was synthesized by the room temperature stirring of 4-methoxybenzenesulfonyl chloride (1) and ethyl isonipecotate (2). Carboxylate was converted into carbohydrazide 4, which was refluxed with phenyl isothiocyanate and KOH to synthesize 1,2,4-triazole (5). A series of propanamides 8a-8l were stirred at room temperature with compound 5 to avail the targeted library of hybrids 9a-9l. All the designed hybrids were screened for antioxidant, urease, acetyl cholinesterase (AChE) and butyryl cholinesterase (BChE) inhibition potential. All the compounds were found active with variable potential. The best antioxidant agent was compound 9c with IC50 value 45.2±0.15, AChE inhibitor 9e (63.27±1.21), anti-urease agents were 9g (20.2±0.21) and 9k (19.2±0.09) and BChE inhibitors were 9d (15.5±0.39) and 9e (15.9±0.67). The computational and BSA binding studies of selected synthesized compounds against urease, BChE, AChE enzymes were carried out to elaborate the strong and weak enzymes inhibition potential through binding forces of synthesized compounds with the active sites of enzymes.

Keywords: 1,2,4-Triazole, Piperidine, Enzyme inhibition, Molecular docking, BSA binding, Microwave assisted synthesis