In Silico Evaluation of Formononetin as a Potential Anti-Obesity Agent: Quantum Chemical and Docking Insights
Abstract
Obesity is a growing global health concern and a major risk factor for various chronic diseases. This study employed a range of in silico computational approaches to evaluate the potential anti-obesity effects of formononetin, a natural bioactive compound. Quantum chemical analyses indicated that formononetin possesses a stable electronic structure and is well-suited for interactions with biological targets. Molecular docking results revealed that formononetin exhibits strong and favourable binding interactions with the ALKBH5 enzyme, which plays a role in epigenetic mechanisms associated with obesity. Additionally, the ADME assessment revealed that formononetin exhibits drug-like properties and high gastrointestinal absorption, although certain limitations related to solubility and transport mechanisms may impact its bioavailability. Overall, the findings suggest that formononetin is a promising candidate for managing metabolic disorders and reinforce the therapeutic potential of natural compounds in multi-targeted obesity treatments.
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