Abdullah Alharbi Raed
Department of Public Health, College of Applied Medical Sciences, Majmaah University, Al Majmaah 11952, Saudi Arabia.
Saudi J Biol Sci. 2021 Jun;28(6):3594-3601. doi: 10.1016/j.sjbs.2021.03.036. Epub 2021 Mar 18.
Coronaviruses have been causing pandemic situations across the globe for the past two decades and the focus is on identifying suitable novel targets for antivirals and vaccine development. SARS-CoV-2 encodes a small hydrophobic envelope (E) protein that mediates envelope formation, budding, replication, and release of progeny viruses from the host. Through this study, the SARS-CoV-2 E protein is studied for its open and closed state and focused in identifying antiviral herbs used in traditional medicine practices for COVID-19 infections. In this study using computational tools, we docked the shortlisted phytochemicals with the envelope protein of the SARS-CoV-2 virus and the results hint that these compounds interact with the pore-lining residues. The molecular level understanding of the open state is considered and the active inhibitors from the phytochemicals of Ayurvedic medicinal plants from Withania somnifera. We have thus identified a potential phytochemical compound that directly binds with the pore region of the E protein and thereby blocks its channel activity. Blocking the ion channel activity of E protein is directly related to the inhibition of virus replication. The study shows encouraging results on the usage of these phytochemicals in the treatment/management of SARS-CoV-2 infection.
在过去二十年里，冠状病毒一直在全球引发大流行状况，重点是确定适合用于抗病毒药物和疫苗研发的新靶点。严重急性呼吸综合征冠状病毒2（SARS-CoV-2）编码一种小的疏水包膜（E）蛋白，该蛋白介导包膜形成、出芽、复制以及子代病毒从宿主细胞的释放。通过这项研究，对SARS-CoV-2 E蛋白的开放和闭合状态进行了研究，并着重于确定传统医学实践中用于治疗新型冠状病毒肺炎（COVID-19）感染的抗病毒草药。在本研究中，我们使用计算工具将入围的植物化学物质与SARS-CoV-2病毒的包膜蛋白进行对接，结果表明这些化合物与孔道内衬残基相互作用。考虑了对开放状态的分子水平理解以及来自印度人参（Withania somnifera）的阿育吠陀药用植物植物化学物质中的活性抑制剂。我们由此确定了一种潜在的植物化学化合物，它直接与E蛋白的孔道区域结合，从而阻断其通道活性。阻断E蛋白的离子通道活性与抑制病毒复制直接相关。该研究显示了这些植物化学物质在治疗/管理SARS-CoV-2感染方面令人鼓舞的结果。
