Molecular Insights into the Interaction of Vitamin C (Ascorbic Acid) with Glutathione Peroxidase: A Comprehensive Computational Study

Authors: Bhattacharjee S*

DOI: 10.23880/macij-16000188

Volume 8, Issue 1

Abstract

This research investigates the molecular interaction between vitamin C (ascorbic acid) and glutathione peroxidase (GPX), a key enzyme in the antioxidant defense system. Oxidative stress-induced damage, caused by an imbalance in reactive oxygen species (ROS) production, is implicated in various health issues. Vitamin C, a potent antioxidant, is known for its ability to neutralize free radicals and support overall cellular health. Despite numerous studies on the protective effects of vitamin C, the molecular details of its interaction with GPX remain unclear. In this study, we employ computational methods, including molecular docking and dynamics simulations, to predict and visualize the molecular-level interaction between vitamin C and GPX. Our results reveal a favorable binding affinity, supported by negative free energy values, suggesting strong interactions. Detailed analyses of various parameters provide insights into the structural flexibility of the ligand, vibrational dynamics, and clustering characteristics. Overall, this study enhances our understanding of the molecular mechanisms underlying the beneficial effects of vitamin C in combating oxidative stress, with potential implications for therapeutic interventions.

Keywords: Molecular Interaction; Vitamin C (Ascorbic Acid); Glutathione Peroxidase (GPX); Computational Study; Antioxidant Defense System

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