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Exploring the multi-targeted therapeutic potential of Benzoquinoline in diabetes: A molecular docking study with key enzymes

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Pujala Shivakrishna, Estari Mamidala
» doi: 10.31838/ecb/2023.12.si6.419


Diabetes mellitus is a chronic metabolic disorder affecting millions of people worldwide. Developing effective therapeutic interventions for diabetes requires a comprehensive understanding of the molecular interactions between potential drug candidates and key enzymes involved in the disease pathways. In this study, we investigated the multi-targeted therapeutic potential of Benzoquinoline, a promising small molecule, in diabetes treatment. Using molecular docking simulations, we explored the binding interactions of Benzoquinoline with key enzymes implicated in diabetes, including aldose reductase, 11-β-HSD1, glucokinase, PPAR-γ, and GFAT. The binding energy, hydrogen bond interactions, and hydrophobic interactions were analyzed to assess the stability of the protein-ligand complexes. Our findings suggest that Benzoquinoline exhibits favorable binding interactions with these enzymes, indicating its potential as a multi-targeted therapeutic agent for diabetes. Further in vitro and in vivo studies are warranted to validate these computational predictions and explore the therapeutic efficacy of Benzoquinoline in treating diabetes

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