Secondary metabolites of as potential inhibitors of SARS-CoV-2.

In late December 2019, a pandemic coronavirus disease 2019 (COVID-19) emerged in Wuhan, China and spread all over the globe. One of the promising therapeutic techniques of viral infection is to search for enzyme inhibitors among natural phytochemicals using molecular docking to obtain leads with the least side effects. The COVID-19 virus main protease (M) is considered as an attractive target due to its pivotal role in controlling viral transcription and replication. Metabolic profiling of the crude extract of Becc. (Arecaceae) leaves and fruit dereplicated twelve metabolites using LC-HRESIMS. Molecular docking simulation and ADME profiling of these annotated compounds proposed that tricin is a promising lead against COVID-19 virus M. The alcoholic extract was shown to inhibit SARS-CoV-2 through culture and RT-PCR testing with EC = 0.122 and 1.53 μg mL for leaves and fruit extracts, respectively, when compared with that of the FDA-approved anti-COVID-19 remdesivir (0.002 μg mL). Preliminary steps were also performed including the 3CL-protease inhibition assay and cytotoxicity study. It is worthwhile to find a cheap, safe, natural source for promising anti-SARS-CoV-2 agents that can be further tested against the COVID-19 virus M. This study provides scientific basis for demonstrating beneficial effects of application on human health during the corona pandemic.