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

IF 1.3 Q4 FOOD SCIENCE & TECHNOLOGY Functional Foods in Health and Disease Pub Date : 2022-09-09 DOI:10.31989/ffhd.v12i9.964

S. R. Zarchi, Mahdi Dousti, Davood Rezazadeh, E. Sajadi, Sara Rizvand, N. Roozbahani

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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 flavonoids 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.Keywords: Molecular Docking, Biebersteinia multifida, Peptic ulcer, Molegro Virtual Docker

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多裂比伯斯坦菌对乙醇性胃溃疡保护作用的机制预测一项Insilco的研究

简介：消化性溃疡病（PUD）是胃肠道最常见的疾病之一。草药疗法是具有不同胃保护机制的替代疗法，多裂双孢菌（BM）的胃保护作用已在先前进行了评估。目的：本研究通过分子对接预测BM生物活性化合物改善乙醇PUD的可能作用机制。方法：采用Molegro Virtual Docker 6.0（MVD）筛选BM中的生物活性化合物对影响乙醇性PUD愈合和进展的因素的影响。结果：BM根中对PUD有改善作用的主要生物活性化合物是黄酮类木犀草素芸香苷。该化合物与黄嘌呤氧化酶、环氧合酶-2和超氧化物歧化酶的结合能最低。结论：由于黄酮类化合物木犀草素-芸香糖苷的存在，多叶比伯菌可能会影响乙醇性PUD的相关因素，从而在PUD的愈合中发挥作用。关键词：分子对接，多叶比伯菌，消化性溃疡，Molegro Virtual Docker

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Functional Foods in Health and Disease FOOD SCIENCE & TECHNOLOGY-

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2.20

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20.00%

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