In Silico and in Vitro Evaluation of Anti-Ulcer Potential of Marsdenia Tenacissima Roots

ABSTRACTPeptic ulcer disease affects 5–10% of the global population, arising from an imbalance betweenaggressive gastric factors—acid, pepsin, Helicobacter pylori—and protective mucosaldefenses. Conventional therapies such as proton pump inhibitors (PPIs) and antibiotics havetransformed management but are limited by adverse effects, resistance, and recurrence,highlighting the need for safer, multi-targeted alternatives.This study investigates the in vitroanti-ulcer and gastroprotective potential of the ethanolic extract of Marsdenia tenacissima roots(EEMT), supported by molecular docking analysis. Soxhlet extraction yielded EEMT, whichwas evaluated through acid neutralizing capacity (ANC), H\+/K\+-ATPase inhibition, andpepsin inhibition assays.Results demonstrated significant, concentration-dependent activity.ANC assays revealed strong buffering capacity, increasing from 78.57% at 100 mg/mL to85.43% at 1000 mg/mL, providing immediate protection against hyperacidity. EEMTsuppressed gastric proton pump activity, achieving 83.20% inhibition at 1000 mg/mL (IC50 =313.20 mg/mL), confirming potent anti-secretory action. Additionally, pepsin inhibitionreached 53.18% at 1000 mg/mL (IC50 = 833.94 mg/mL), reducing proteolytic mucosaldamage.Molecular docking of ten phytoconstituents identified Stigmasterol as the mosteffective ligand (rerank score -112.118), forming stable hydrophobic complexes. TenacissosideC and Marsdenoside B also showed strong binding affinities, supported by favorable hydrogenbond interactions.Together, these findings suggest synergistic action of steroidal glycosides andphytosterols, enabling acid neutralization, secretion suppression, and proteolytic inhibition.EEMT demonstrates exceptional gastroprotective potential, positioning Marsdenia tenacissimaas a promising natural therapeutic candidate for acid-peptic disorders, warranting further invivo validation.