Evaluation of Yashtimadhu (Glycyrrhiza glabra) active Phytochemicals Against Novel Coronavirus (SARS-CoV-2)

D. Maurya
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引用次数: 16

Abstract

Corona Virus Disease 2019 (COVID-19) caused by a novel coronavirus emerged from Wuhan, China in December 2019. It has spread to more than 205 countries and become pandemic now. Currently, there are no FDA approved drugs or vaccines available and hence several studies are going on in search of suitable drug that can target viral proteins or host receptor for the prevention and management of COVID-19. The search for plant-based anti-viral agents against the SARS-CoV-2 is promising because several of plants have been shown to possess anti-viral activities against different viruses. Here, we used molecular docking approach to explore the use of Indian Ayurvedic herbs, Yashtimadhu in prevention and management of COVID-19. In the present study we have evaluated the effectiveness of phytochemicals found in Yashtimadhu against Main Protease (Mpro), Spike (S) protein and RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 as well as human angiotensin converting enzyme 2 (ACE2) receptor and furin protease. Apart from this, we have also performed in-silico drug-likeness and predicted pharmacokinetics of the selected phytochemicals found in the Yashtimadhu. Our study shows that several phytochemicals found in this plant have potential to bind with important proteins of SARS-CoV-2 which are essential for viral infection and replication. Overall our study provides scientific basis in terms of binding of active ingredients present in Yashtimadhu with SARS-CoV-2 target proteins. Our docking studies reveal that Yashtimadhu may inhibit the viral severity by interfering with viral entry as well as its multiplication in the infected persons. Thus Yashtimadhu may be helpful in the prevention and management of the COVID-19.
Yashtimadhu (Glycyrrhiza glabra)抗新型冠状病毒(SARS-CoV-2)活性植物化学物质的评价
2019年12月,由新型冠状病毒引起的2019冠状病毒病(新冠肺炎)在中国武汉出现。它已经传播到205多个国家,现在已经成为流行病。目前,没有FDA批准的药物或疫苗可用,因此正在进行几项研究,以寻找能够靶向病毒蛋白或宿主受体的合适药物,用于预防和管理新冠肺炎。寻找针对严重急性呼吸系统综合征冠状病毒2型的植物抗病毒药物是有希望的,因为一些植物已被证明具有针对不同病毒的抗病毒活性。在这里,我们使用分子对接方法来探索印度阿育吠陀草药Yashtimadhu在新冠肺炎预防和管理中的应用。在本研究中,我们评估了Yashtimadhu中发现的植物化学物质对严重急性呼吸系统综合征冠状病毒2型的主要蛋白酶(Mpro)、刺突蛋白(S)和RNA依赖性RNA聚合酶(RdRp)以及人血管紧张素转换酶2(ACE2)受体和弗林蛋白酶的有效性。除此之外,我们还对Yashtimadhu中发现的选定植物化学物质进行了计算机药物模拟和预测药代动力学。我们的研究表明,在这种植物中发现的几种植物化学物质有可能与严重急性呼吸系统综合征冠状病毒2型的重要蛋白质结合,这些蛋白质对病毒感染和复制至关重要。总的来说,我们的研究为Yashtimadhu中的活性成分与严重急性呼吸系统综合征冠状病毒2型靶蛋白的结合提供了科学依据。我们的对接研究表明,Yashtimadhu可能通过干扰病毒进入及其在感染者中的繁殖来抑制病毒的严重性。因此,Yashtimadhu可能有助于新冠肺炎的预防和管理。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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