Abstract
The newly emerged SARS-CoV-2 strains from the coronavirus (CoV) family is causing one of the most disruptive pandemics of the past century. Developing antiviral drugs is a challenge for the scientific community and pharmaceutical industry. Given the health emergency, repurposing of existing antiviral, antiinflammatory or antimalarial drugs is an attractive option for controlling SARS-CoV-2 with drugs. However, phytochemicals selected based on ethnomedicinal information as well as in vitro antiviral studies could be promising as well. Here, we summarise the phytochemicals with reported anti-CoV activity, and further analyzed them computationally to accelerate validation for drug development against SARS-CoV-2. This systematic review started from the most potent phytocompounds (IC 50 in μM) against SARS-CoV, followed by a cluster analysis to locate the most suitable lead(s). The advanced molecular docking used the crystallography structure of SARS-CoV-2-cysteine-like protease (SARS-CoV-2-3CL pro ) as a target. In total, seventy-eight phytochemicals with anti-CoV activity against different strains in cellular assays, were selected for this computational study, and compared with two existing repurposed FDA-approved drugs: lopinavir and ritonavir. This review brings insights in the potential application of phytochemicals and their derivatives, which could guide researchers to develop safe drugs against SARS-CoV-2.
Keywords: Coronavirus; Herbal medicine; MERS; Molecular docking; Natural products; SARS-CoV-2.
【저자키워드】 coronavirus, molecular docking, natural products, MERS, herbal medicine, SARS-CoV-2., 【초록키워드】 SARS-CoV-2, Antiviral, Drug development, antiviral drugs, Lopinavir, Ritonavir, drugs, molecular docking, systematic review, pharmaceutical industry, drug, protease, in vitro, MERS, herbal medicine, antiviral drug, Pandemics, Cluster, CoV, target, Herbal, Scientific community, cluster analysis, information, Antimalarial drugs, cellular, Analysis, strain, Safe, followed by, cysteine, antimalarial drug, health emergency, natural, LOPINAVIR AND RITONAVIR, SARS-CoV-2 strain, derivatives, researcher, antiinflammatory, selected, analyzed, develop, reported, assays, against SARS-CoV, Developing, accelerate, 【제목키워드】 phytochemical, against SARS-CoV,