Mechanism Prediction of Gastro-protective Effects of the Biebersteinia multifida against Ethanol-Induced Gastric Ulcers; an Insilco study

Abstract

Introduction: Peptic ulcer disease (PUD) is one of the most common diseases of the gastrointestinal tract. Herbal remedies are alternative therapies that have different gastro protective mechanisms, the gastro protective effect of Biebersteinia multifida (BM) was evaluated previously. Objective: This study was performed to predict the possible mechanism of action of BM bioactive compounds on ameliorating ethanolic PUD in an Insilico study by molecular docking. Methods: Bioactive compounds in BM were screened by Molegro Virtual Docker 6.0 (MVD) for their effects on factors affecting the healing and progression of ethanolic PUD. Results: The principal bioactive compound in BM root that has an ameliorating effect in PUD is the flavonoid luteolin rutinoside. This compound establishes the lowest binding energy with the enzymes xanthine oxidase, cyclooxygenase-2, and superoxide dismutase, respectively. Conclusion: Biebersteinia multifida probably affects the factors involved in ethanolic PUD due to the presence of flavonoids luteolin rutinoside and thus plays a role in the healing of PUD.