Abdelmohsen Usama Ramadan, Albohy Amgad, Abdulrazik Basma S, Bayoumi Soad A L, Malak Lourin G, Khallaf Iman S A, Bringmann Gerhard, Farag Salwa F
Department of Pharmacognosy, Faculty of Pharmacy, Deraya University 7 Universities Zone 61111 New Minia City Egypt.
Department of Pharmacognosy, Faculty of Pharmacy, Minia University Minia 61519 Egypt
RSC Adv. 2021 May 7;11(28):16970-16979. doi: 10.1039/d1ra01989a. eCollection 2021 May 6.
COVID-19 is a global pandemic first identified in China, causing severe acute respiratory syndrome. One of the therapeutic strategies for combating viral infections is the search for viral spike proteins as attachment inhibitors among natural compounds using molecular docking. This review aims at shedding light on the antiviral potential of natural products belonging to the natural-products class of coumarins up to 2020. Moreover, all these compounds were filtered based on ADME analysis to determine their physicochemical properties, and the best 74 compounds were selected. Using virtual-screening methods, the selected compounds were investigated for potential inhibition of viral main protease (Mpro), viral methyltransferase (nsp16/10 complex), viral recognition binding domain (RBD) of S-protein, and human angiotensin-converting enzyme 2 (ACE2), which is the human receptor for viral S-protein targets, using molecular-docking studies. Promising potential results against SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) and methyltransferase (nsp16) are presented.
新型冠状病毒肺炎(COVID-19)是一种最初在中国被发现的全球大流行病,可导致严重急性呼吸综合征。对抗病毒感染的治疗策略之一是利用分子对接在天然化合物中寻找作为附着抑制剂的病毒刺突蛋白。本综述旨在阐明截至2020年属于天然产物类香豆素的天然产物的抗病毒潜力。此外,所有这些化合物都通过药物代谢动力学(ADME)分析进行筛选,以确定其理化性质,并选出了最佳的74种化合物。使用虚拟筛选方法,通过分子对接研究,对所选化合物针对病毒主要蛋白酶(Mpro)、病毒甲基转移酶(nsp16/10复合物)、S蛋白的病毒识别结合域(RBD)以及人血管紧张素转换酶2(ACE2,病毒S蛋白靶点的人类受体)的潜在抑制作用进行了研究。展示了针对严重急性呼吸综合征冠状病毒2(SARS-CoV-2)RNA依赖性RNA聚合酶(RdRp)和甲基转移酶(nsp16)的有前景的潜在结果。