Elucidation of Dual Antimicrobial and Anti-Parkinsonian Activities through an In-Silico Approach of <i>Ipomoea mauritiana</i> Jacq. in the Context of the Gut–Brain Axis

Underutilized medicinal plants offer a largely untapped reservoir for drug discovery, particularly in addressing emerging health challenges, such as neurodegenerative diseases. <i>Ipomoea mauritiana</i> Jacq., a traditionally revered species in Indian ethnomedicine and an underutilized leafy vegetable, was evaluated for its bioactive profile, antibacterial efficacy, and antiparkinsonian activity. Gas chromatography-mass spectrometry revealed a complex phytochemical repertoire dominated by stigmasterol, γ-sitosterol, campesterol, lupeol, octadecanoic acid, and antioxidant esters, suggesting multifaceted bioactivity. Fourier-transform infrared spectral fingerprints in the 923-484 cm^-1 region indicated the presence of bioactive glycosides, alkaloids, and possible mineral-organic conjugates. Antibacterial assays demonstrated moderate but consistent inhibition in concentration ranging from 25 to 500 μg/mL. In silico molecular docking predicted stigmasterol and γ-sitosterol as the strongest binders, indicating the potential for multitarget parkinson modulation. Mechanistic interpretations suggest that phytosterols and fatty acid esters may disrupt bacterial membrane integrity, modulate oxidative stress, and interfere with quorum sensing. While the antibacterial effect was moderate, the extract's low cytotoxicity against human embryonic kidney cell-line strengthens its potential as a gut-safe therapeutic. This study investigates <i>I. mauritiana</i> as a promising candidate for integrative nutraceutical applications and the antimicrobial properties of <i>I. mauritiana</i> Jacq. through in vitro assays and explores its potential anti-Parkinsonian activity using in silico docking and gut-brain axis analysis. The results suggest that certain bioactives may interact with Parkinson's-associated targets, providing preliminary computational evidence that warrants further experimental validation for targeting microbial infections and neurodegenerative disorders through gut-brain modulation.