Design, synthesis, molecular docking and biological studies of some novel pyrrolidine-triazole-aurone hybrids against digestive enzymes
摘要
Here in this work we successfully designed and synthesized a library of some novel pyrrolidine-triazole-aurone hybrids i.e. (Z)-2-benzylidene-6-((1-(2-(pyrrolidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)benzofuran-3(2H)-one derivatives 5(a-k). The structures of all the synthesized hybrid aurones were confirmed based on their spectral (FT-IR, 1H NMR, 13C NMR) and HRMS data. In biological studies, the impact of synthesized compounds on digestive enzymes, amylase, lipase, and trypsin was analyzed. These compounds exhibited varying effects on these enzymes as both trypsin and amylase were activated, but a significant inhibition was achieved for the lipase enzyme. Upon examining the binding energies of the synthesized compounds with the enzymes, it was observed that the experimental findings partially aligned with the docking results. These in vitro and in silico results of these hybrid aurones against digestive enzymes, signify their potential as anti-inflammatory and anti-obesity agents.