The Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) has resulted in outbreak of global pandemic, fatal pneumonia in human referred as Coronavirus Disease-2019 (Covid-19). Ayurveda, the age old practice of treating human ailments in India, can be considered against SARS-CoV-2. Attempt was made to provide preliminary evidences for interaction of 35 phytochemicals from two plants (Phyllanthus amarus and Andrographis paniculata used in Ayurveda) with SARS-CoV-2 proteins (open & closed state S protein, 3CLpro, PLpro and RdRp) through in silico docking analysis. The nucleotide analogue remdesivir, being used in treatment of SARS-CoV-2, was used as a positive control. The results revealed that 18 phytochemicals from P. amarus and 14 phytochemicals from A. paniculata shown binding energy affinity/dock score < − 6.0 kcal/mol, which is considered as minimum threshold for any compound to be used for drug development. Phytochemicals used for docking studies in the current study from P. amarus and A. paniculata showed binding affinity up to − 9.10 kcal/mol and − 10.60 kcal/mol, respectively. There was no significant difference in the binding affinities of these compounds with closed and open state S protein. Further, flavonoids (astragalin, kaempferol, quercetin, quercetin-3-O-glucoside and quercetin) and tannins (corilagin, furosin and geraniin) present in P. amarus have shown more binding affinity (up to − 10.60 kcal/mol) than remdesivir (up to − 9.50 kcal/mol). The pharmacokinetic predictions suggest that compounds from the two plants species studied in the current study are found to be non-carcinogenic, water soluble and biologically safe. The phytochemicals present in the extracts of P. amarus and A. paniculata might have synergistic effect with action on multiple target sites of SARS-CoV-2. The information generated here might serve as preliminary evidence for anti SARS-CoV-2 activity of phytochemicals present from P. amarus and A. paniculata and the potential of Ayurveda medicine in combating the virus.

严重急性呼吸综合征冠状病毒2 (SARS-CoV-2) 已导致全球大流行、致命的人类肺炎爆发，称为冠状病毒病 2019 (Covid-19)。阿育吠陀是印度治疗人类疾病的古老做法，可以考虑对抗 SARS-CoV-2。尝试为来自两种植物（阿育吠陀中使用的Phyllanthus amarus和穿心莲）的 35 种植物化学物质与 SARS-CoV-2 蛋白（开闭态 S 蛋白、3CLpro、PLpro 和 RdRp）相互作用提供初步证据。分析。用于治疗 SARS-CoV-2 的核苷酸类似物瑞德西韦被用作阳性对照。结果表明，18 种植物化学物质来自P. amarus和来自A. paniculata的 14 种植物化学物质显示结合能亲和力/码头分数 < - 6.0 kcal/mol，这被认为是用于药物开发的任何化合物的最低阈值。在目前来自P. amarus和A. paniculata的研究中，用于对接研究的植物化学物质的结合亲和力分别高达 - 9.10 kcal/mol 和 - 10.60 kcal/mol。这些化合物与封闭和开放状态S蛋白的结合亲和力没有显着差异。此外， P. amarus中还含有类黄酮（黄芪、山柰酚、槲皮素、槲皮素-3- O-葡萄糖苷和槲皮素）和单宁（corilagin、furosin 和 geraniin）显示出比瑞德西韦更高的结合亲和力（高达 - 10.60 kcal/mol）（高达 - 9.50 kcal/mol）。药代动力学预测表明，来自当前研究中研究的两种植物物种的化合物被发现是非致癌、水溶性和生物安全的。P. amarus和A. paniculata提取物中存在的植物化学物质可能对 SARS-CoV-2 的多个靶位点具有协同作用。此处生成的信息可作为P. amarus和A. paniculata中存在的植物化学物质的抗 SARS-CoV-2 活性以及阿育吠陀药物对抗病毒的潜力的初步证据。