SARS-CoV-2 Spike Protein: A Review of Structure, Function, Care, Vaccines, and Possible Inhibitors Designed by Molecular Modeling

In Wuhan, Hubei Province, China, a new species of coronavirus has emerged, defined as SARS-CoV-2, which causes severe acute respiratory syndrome, COVID-19. Since the end of 2019, the virus has caused thousands of deaths worldwide. In their structure, they have proteins that are essential for their survival, including the Spike protein or spike protein, responsible for cell coupling through interaction with the angiotensin-converting enzyme 2, ACE2. With the rapid spread of being a highly contagious virus, there were several mutations that increased the number of deaths. Amid the urgency of containment, vaccines were created with existing technologies from other viral infections. In addition to the intensification of research aimed at combating the pandemic, mainly in computational studies for the planning and repositioning of drugs capable of inhibiting the infection of COVID-19. Techniques such as structure- and ligand-based virtual screening, molecular docking, pharmacophoric modeling, quantitative structure–activity relationships, and artificial intelligence are used by research groups and pharmaceutical industries. In this work, a bibliographic review will be made on these aspects related to the Spike protein.