Identification of Potential SARS-CoV-2 Inhibitors: A selected Natural Compounds Targeting RNA-dependent-RNA Polymerase Activity, and Binding Affinity of the Receptor-binding Domain (RBD)

Abstract

Coronavirus disease (COVID-19) is caused by SARS-CoV-2 and represents the causative agent
of a potentially lethal disease. COVID-19 has been described as a significant global public health pandemic
by the World Health Organization due to its high mortality rate, rapid spread, and the lack of drugs. Active
antiviral drugs are desperately needed to combat the potential return of severe acute respiratory syndrome
(SARS). In this study, we selected 39 natural compounds present in plants, algae, and sponges with antiviral activity. Molecular docking was used to screen the compounds’ activity on SARS- CoV-2 RNA-dependent-RNA polymerase, receptor-binding domain (RBD), and the human ACE2 receptor. Compounds with
binding energy less than -6.5 kcal/mol enter pre-clinical testing using insilco ADME/Tox (absorption, distribution, metabolism, excretion, and toxicity). We found eight potential SARS-CoV-2 inhibitors: (glycyrrhizin,
rutin, baicalin, 1, 6-di-O- galloyl-beta-D-glucose, pyropheophorbide A, pheophorbide A, beta-Sitosterol, and
vitexin). These outcomes indicate that these compounds could be potential candidates to be utilized for the
design and production of the anti-SARS-CoV-2 drug