Abstract

SARS-CoV-2 (2019-nCoV) emerged in the back of December 2019 and proliferated rapidly across the globe. Scientists are attempting to investigate antivirals specific to COVID-19 treatment. The 2019-nCoV and SARS-CoV utilize the same receptor of the host which is COVID-19 of the main protease (Mpro).COVID-19 caused by SARS-CoV-2 is burdensome to overcome by presently acquired antiviral candidates. So the objective and purpose of this work was to investigate the plants with reported potential antiviral activity. With the aid of in silico techniques such as molecular docking and druggability studies, we have proposed several natural active compounds including glycyrrhizin, bicylogermecrene, tryptanthrine, β-sitosterol, indirubin, indican, indigo, hesperetin, crysophanic acid, rhein, berberine and β-caryophyllene which can be encountered as potential herbal candidate exhibiting anti-viral activity against SARS-CoV-2. Promising docking outcomes have been executed which evidenced the worthy of these selected herbal remedies for future drug development to combat coronavirus disease.

Graphic Abstract

中文翻译：

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承认天然产物是 COVID-19 主要蛋白酶 (Mpro) 的潜在抑制剂：计算机证据。

 抽象的

SARS-CoV-2 (2019-nCoV) 于 2019 年 12 月后出现，并在全球范围内迅速扩散。科学家们正在尝试研究针对 COVID-19 治疗的抗病毒药物。 2019-nCoV 和 SARS-CoV 利用相同的宿主受体，即主要蛋白酶 (Mpro) 的 COVID-19。目前获得的抗病毒候选药物难以克服由 SARS-CoV-2 引起的 COVID-19。因此，这项工作的目的和目的是研究具有潜在抗病毒活性的植物。借助分子对接和成药性研究等计算机技术，我们提出了几种天然活性化合物，包括甘草甜素、双环姜烯、色胺酮、β-谷甾醇、靛玉红、靛蓝、靛蓝、橙皮素、高粱酸、大黄酸、小檗碱和β-石竹烯可作为潜在的草药候选物，表现出针对 SARS-CoV-2 的抗病毒活性。已经执行了有希望的对接结果，这证明了这些选定的草药对于未来抗击冠状病毒疾病的药物开发的价值。

 图文摘要