Acacetin Interacts with Glycolytic Enzymes and Inhibits Diabetes

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DOI: 10.21522/TIJPH.2013.SE.24.03.Art004

Authors : Ponnulakshmi Rajagopal, Selvaraj Jayaraman, Vishnu Priya Veeraraghavan, Sridevi Gopathy, Heera M. J, Manju P, Kritika C, Sureka Varalakshmi V, Chella Perumal Palanisamy, Ramajayam Govindan, Savitha Niren

Abstract:

Diabetes mellitus, a chronic metabolic disorder, has been a global health concern with rising prevalence. The search for novel therapeutic agents, especially from natural sources, remains a priority. Acacetin, a flavonoid found in various plants, has shown potential in various biological activities. However, its role in diabetes management, particularly its interaction with glycolytic enzymes, has been less explored. This study aimed to investigate the interaction of acacetin with glycolytic enzymes and its potential as a therapeutic agent for diabetes management. A comprehensive molecular docking analysis was employed to explore the binding affinity of acacetin to glycolytic enzymes, including hexokinase, phosphofructokinase, and pyruvate kinase. The study utilized advanced computational tools and techniques to simulate the interaction dynamics. The binding energy, interaction sites, and stability of the acacetin-enzyme complex were evaluated. Acacetin exhibited significant binding affinity towards all three glycolytic enzymes, with notable stability in the enzyme active sites. The binding energies indicated a strong interaction, suggesting potential inhibitory effects on the enzymes. The interaction was characterized by both hydrogen bonding and hydrophobic interactions, contributing to the stability of the complexes. The molecular docking analysis suggests that acacetin interacts effectively with key glycolytic enzymes, potentially inhibiting their activity. This interaction could impede the glycolytic pathway, which is crucial in diabetes pathophysiology. Therefore, acacetin emerges as a promising candidate for diabetes management, warranting further in-vitro and in-vivo studies to explore its therapeutic potential and mechanism of action.

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