In silico Evaluation of Quercetin from Allium Cepa as Potential Modulator of Inflammatory Pathways in Ulcerative Colitis
Abstract
Ulcerative colitis (UC) is a chronic inflammatory bowel disease characterized by immune imbalance and oxidative stress–induced mucosal damage. Quercetin, a naturally occurring flavonoid found in Allium cepa (onion), is known for its potent anti-inflammatory and antioxidant activities. This study employed an in-silico approach to investigate quercetin’s therapeutic potential against UC by targeting key inflammatory mediators tumor necrosis factor-alpha (TNF-α), interleukin-6 (IL-6), cyclooxygenase-2 (COX-2), and nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB). Molecular docking results revealed strong binding affinities and stable interactions of quercetin with all selected proteins. Pharmacokinetic analysis using Swiss Absorption, Distribution, Metabolism, and Excretion (SwissADME) and pharmacokinetics using Chemical Structural Modeling (pkCSM) indicated good oral bioavailability, high gastrointestinal absorption, and low predicted toxicity. Collectively, these findings suggest that quercetin could effectively modulate multiple inflammatory pathways involved in UC pathogenesis. The study supports quercetin as a promising, multitarget natural candidate for managing ulcerative colitis, warranting further in vitro and in vivo validation.
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