Covid-19, Still a Health Threat in Human Society

COVID-19 continues to pose a health risk to human society. Despite the fact that the corona virus vaccination has saved human lives, a reliable medication has not yet been discovered. SARS CoV-2 mutations continue to create challenges for both human civilization and scientific research. We have investigated the entry sites of corona virus into the hACE2 protein where the virus binds to human proteins as well as the main binding residues between these molecules by utilizing the molecular dynamics simulations. In order to build a therapeutic molecule that can minimize the binding affinity between these molecules, we then evaluated the free energy between them using umbrella sampling techniques. Furthermore, we have been working regarding the investigation on possible natural ligands that could be useful in identifying the best drug for combating the corona virus.