Computational screening approaches for investigating potential activity of phytoligands against SARS-CoV-2

Coronaviruses (CoVs) are infectious agents from the family Coronaviridae, classified into four genera: alpha-CoV, beta-CoV, gamma-CoV, and delta-CoV. These viruses have a host-derived membrane envelope, a helical nucleocapsid, and positive-sense, single-stranded RNA that can initiate infection without the need for essential enzymes. Over the past two decades, CoVs have caused three major zoonotic outbreaks: Severe Acute Respiratory Syndrome (SARS-CoV) in 2002-2003, Middle East Respiratory Syndrome (MERS-CoV) in 2012, and the ongoing COVID-19 pandemic, triggered by SARS-CoV-2 in 2019.

The COVID-19 pandemic originated in Wuhan, China, in late 2019 and rapidly spread to over 205 countries. This virus primarily transmits through respiratory droplets and contact with infected individuals, with a median incubation period of around five days. While initial transmission may have involved zoonotic spread, likely from bats via an intermediary host, human-to-human transmission has accelerated its global spread. Emerging studies suggest potential transmission through fecal shedding as well.

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