ABSTRACT

The prevalence of Diabetes mellitus has been increasing day-by-day. Available drug therapies are associated with some side-effects. Glucokinase is an emerging target to design newer anti-diabetic drugs by activating the enzyme. Glucokinase activators convert glucose into glucose-6-phosphate. In this study, structure-based Pharmacophore model was generated; virtual screening was performed using Asinex and Zinc database library compounds. Molecular docking was performed followed by ADMET studies. ZINC212072098, ZINC212076713, ZINC212080377, ZINC94222677 and ZINC95394375 have shown good binding energies, interactions with ideal amino acid residues and better ADMET results. These compounds will be further used to design novel Glucokinase activators. Keywords: Glucokinase, 1V4S, Ligand Scout, PyRx, Structure-based Pharmacophore, Swiss-ADMET
Publication date: 01/10/2021

https://ijbpas.com/pdf/2021/October/MS_IJBPAS_2021_OCT_SPCL_1048.pdf

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https://doi.org/10.31032/IJBPAS/2021/10.10.1048