Abstract

For the past two years, the COVID-19 pandemic has worried the majority of the world. The WHO’s most recent figures indicate that more than 5.6 million people have passed away globally. A variety of potential treatments, including the identification of specific anti-viral drugs, must be developed because the virus is still evolving on a worldwide scale. Numerous studies have shown the ability of the CoV-2 spike protein to identify human angiotensin-converting enzyme 2. (ACE2). In light of the fact that it can stop COVID-19 from adhering to and entering the host cell, inhibiting spike-ACE2 interactions may be a potential and effective means of treating the virus. This study aims to find new medicines using an in silico approach. Molecular docking was used to substances that had already undergone in vivo testing as well as licenced pharmaceuticals. The best ligands were then found by running molecular dynamics simulations to analyse the given ligands..