Echis carinatus'un SARS-CoV-2'ye Karşı Venom Peptitleri: İnsan ACE2 Reseptörü ve Mpro Proteininin Etkili İnhibisyonu

Abstract

The search for effective inhibitors against SARS-CoV-2, the virus responsible for the COVID-19 pandemic, has led to the exploration of diverse compound libraries. Molecular docking and virtual screening techniques have been employed to identify potential drug candidates. Natural products, known for their wide variety and reduced toxicity, have gained significant attention in these screenings. Snake venom proteins, characterized by their diverse biological activities and unique molecular structures, offer a promising avenue for the discovery of bioactive molecules with therapeutic potential. In this study, we focused on the investigation of snake venom proteins isolated from Echis carinatus, specifically Schistatin (SCH), phospholipase A2 (PLA2), Disintegrin (DS), and Echistatin (ECH) for their potential as inhibitors against SARS-CoV-2. Through molecular docking analysis, the binding interactions between these venom proteins and key SARS-CoV-2 targets, the main protease (Mpro), and the ACE2 receptor were examined. Results revealed that PLA2 exhibited the most favorable binding affinity to both Mpro and ACE2, surpassing the reference drug ritonavir (RTV). SCH, DS, and ECH also demonstrated promising binding affinities with both targets. This study sheds light on the unexplored potential of snake venom proteins, specifically PLA2, SCH, DS, and ECH from E. carinatus venom, as inhibitors against SARS-CoV-2. Further experimental investigations are warranted to validate their antiviral activities and assess their therapeutic potential in combating COVID-19. The exploration of snake venom proteins presents an intriguing avenue for the discovery of novel drug candidates with broad applications in the treatment of various diseases, including viral infections such as COVID-19.