In Silico Studies of Drug Discovery and Design Against COVID-19 Focusing on ACE2 and Spike Protein Virus Receptors: A Systematic Review

Abstract

The emergence of COVID-19 has prompted researchers worldwide to focus on developing drugs that specifically target ACE2 receptors and SARS-CoV-2 Spike Protein receptors. They have embraced an in-silico approach that employs virtual screening, molecular docking, and molecular dynamics to achieve this. This innovative method harnesses existing chemical and natural product databases to identify the most suitable ACE2 receptor blockers and SARS-CoV-2 Spike Protein inhibitors. By following the PRISMA statement guidelines, a thorough literature search yielded 21 relevant articles, forming the basis of this systematic review. The review provides a comprehensive summary and detailed description of the methodologies, protocols, software tools, and noteworthy drug candidates identified in these studies. Additionally, it sheds light on the crucial molecular interactions by presenting an overview of the interacting residues elucidated in the reviewed articles, offering valuable insights for effective therapeutic interventions. Furthermore, the review presents thought-provoking suggestions for future research directions, aiming to inspire and guide advancements in drug development efforts.