银杏叶生物活性物质对髓鞘少突胶质糖蛋白晶体结构的影响

Aaryan Gupta, Arpita Roy, Soumya Pandit, Neha Pandey, Sarvesh Rustagi
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引用次数: 0

摘要

多发性硬化症(MS)在全球迅速蔓延,在全球造成近280万例病例。许多药物和抑制剂,如屈大麻酚和纳比龙,已被用于治疗多发性硬化症,但由于这些药物会引起严重的副作用,迄今为止还没有有效的治疗方法。因此,我们测试了银杏叶中的不同化合物。抑制多发性硬化症引起的症状作为草药治疗我们针对髓鞘少突胶质细胞糖蛋白的晶体结构进行研究,因为它在实验室中已经取得了一些很好的结果。本文通过分子对接模型进行了结合相互作用。通过ADME试验、生物利用度雷达试验、水煮蛋试验等多种筛选方案进一步验证化合物的有效性。本研究发现,阿门托黄酮和异黄酮具有抑制髓鞘少突胶质细胞糖蛋白晶体结构的潜力,其结合能最低,分别为-7.79 kcal/mol和-8.14 kcal/mol。为了检查这些化合物的有效性,分子动力学模拟和体外研究可以找到一些可能的多发性硬化症的草药治疗方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Evaluation of Bioactive Compounds Obtained from Ginkgo Biloba Against Crystal Structure of Myelin Oligodendrocyte Glycoprotein (MOG)
Multiple Sclerosis (MS) spreads rapidly across the globe, causing almost 2.8 million cases worldwide. Many drugs and inhibitors, such as dronabinol and nabilone, have been used to treat MS, but there is no effective treatment for MS till now as these medications can cause severe side effects. So, we tested different compounds from Ginkgo biloba to inhibit the symptoms caused by MS as an herbal treatment. We targeted the Crystal structure of Myelin Oligodendrocyte Glycoprotein as it has shown some excellent results in experimental labs. In this article, the binding interactions through the molecular docking model was performed. Further compound's effectiveness through various screening protocols such as the ADME Test, Bioavailability Radar Test, and BOILED-Egg Test has been done. This study found that Amentoflavone and Isoginkgetin have the potential to inhibit the Crystal Structure of Myelin Oligodendrocyte Glycoprotein as they show the least binding energies which are -7.79 kcal/mol and -8.14 kcal/mol. To check the effectiveness of these compounds, Molecular Dynamics Simulations and in-vitro studies can be done to find some possible herbal treatments for Multiple Sclerosis.
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