A green catalyst WELPSA-catalyzed three-component condensation (Biginelli) process involving an aldehyde, barbituric/thiobarbituric/1,3-dimethylbarbituric acid, and urea/thiourea/guanidine hydrochloride in a single pot in presence of a green solvent for the production of DHPM have been presented. The catalyst is reusable and this methodology is scalable. By using the in vitro experiments, the antidiabetic potentiality of synthesized compounds that inhibit α-amylase along with α-glucosidase efficiencies was assessed. All the synthesized compounds except for 4a and 4e, showed the most significant inhibition for α-amylase and α-glucosidase activities. Among the synthesized DHPM compounds, 4c and 4b exhibited significant inhibition profiles compared to the standard antidiabetic drug acarbose. Furthermore, synthesized substances' energy-minimized structures, 3D structures, and DFT calculations were performed using Gaussian 09 software, hybrid models, and MM2 force approaches. Strong hydrogen bonds with amino acid residues Arg-672, Arg-600, Trp-613, Asp-404, Asp-282, and Asp-616 indicate that an α-glucosidase-inhibitory peptide may have hypoglycemic efficacy confirmed by the molecular docking study of the synthesized DHPM.

Centre for Nano and Material Sciences Jain Jain Global Campus Kanakapura Bangalore Karnataka 562112 India

Department of Chemistry Faculty of Engineering and Technology Jain University Kanakapura Road Ramanagara 562112 Karnataka India

Department of Post Graduate Studies and Research in Chemistry Mangalore University Mangalagangothri 574199 Dakshina Kannada Karnataka India

Institute of Energetic Materials Faculty of Chemical Technology University of Pardubice Czech Republic

School of Chemical Sciences Goa University Taleigao Plateau 403206 Panaji Goa India

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