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Understanding the Therapeutic Potential of Quercetin and Resveratrol: Computational Insights into Anti-Diabetic Activity
* , , *
1  Faculty of Pharmacy, University Business Academy, Heroja Pinkija 4, 21101 Novi Sad, Serbia
2  UCL School of Pharmacy, University College London, 29/39 Brunswick Square, London WC1N 1AX, UK
Academic Editor: Julio A. Seijas

https://doi.org/10.3390/ecsoc-29-26876 (registering DOI)
Abstract:

The global population is aging rapidly, with those aged 60 and above expected to reach 2.1 billion by 2050. This shift is driving a rise in chronic diseases, including diabetes, which is projected to affect 592 million people by 2035. These trends highlight the urgent need for novel therapeutic strategies and better understanding of disease mechanisms.

Resveratrol and quercetin, two widely recognized polyphenols, are highly valued for their potent antioxidant and anti-inflammatory properties, demonstrating significant promise in mitigating and improving diabetic conditions by addressing core pathological features such as oxidative stress and insulin resistance. This study leverages computational chemistry techniques to elucidate the putative mechanisms of action of resveratrol and quercetin within the context of diabetic pathogenesis. To achieve this, a target prediction analysis was performed for both molecules using SwissTargetPrediction and EpigeneticTargetProfiler, followed by a structure-based target fishing utilizing TargetFisher. From the list of the predicted targets, we selected three key enzymes: Monoamine Oxidase A (MAO-A) and Monoamine Oxidase B (MAO-B), mitochondrial enzymes linked to oxidative stress and inflammation in diabetic conditions, and Insulin-like Growth Factor 1 Receptor (IGF-1R), which activates signalling pathways essential for insulin sensitivity and beta-cell function. These targets were chosen due to their established roles in metabolic signaling and oxidative pathways relevant to diabetes progression. Molecular docking analyses indicated the potential of quercetin and resveratrol to modulate the function of these enzymes and to confirm viability to continue exploring the therapeutic potential of these natural products in both combating metabolic aging and managing diabetic disease.

Keywords: resveratrol; quercetin; metabolic anti-aging; diabetes; target prediction; molecular docking
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