Discovery of putative inhibitors against main drivers of SARS-CoV-2 infection: Insight from quantum mechanical evaluation and molecular modeling

Discovery of putative inhibitors against main drivers of SARS-CoV-2 infection: Insight from quantum mechanical evaluation and molecular modeling

SARS-CoV-2 triggered a worldwide medical crisis, affecting the world’s social, emotional, physical, and economic equilibrium. However, treatment choices and targets for finding a solution to COVID-19’s threat are becoming limited. A viable approach to combating the threat of COVID-19 is by unravelin...

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Main Authors: Toheeb A. Balogun, Onyeka S. Chukwudozie, Uchechukwu C. Ogbodo, Idris O. Junaid, Olugbodi A. Sunday, Oluwasegun M. Ige, Abdullahi T. Aborode, Abiola D. Akintayo, Emmanuel A. Oluwarotimi, Isaac O. Oluwafemi, Oluwatosin A. Saibu, Prosper Chuckwuemaka, Damilola A. Omoboyowa, Abdullahi O. Alausa, Nkechi H. Atasie, Ayooluwa Ilesanmi, Gbenga Dairo, Zainab A. Tiamiyu, Gaber E. Batiha, Afrah Fahad Alkhuriji, Wafa Abdullah I. Al-Megrin, Michel De Waard, Jean-Marc Sabatier
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-10-01
Series:Frontiers in Chemistry
Subjects:
SARS-CoV-2
COVID-19
3CLpro
PLpro
RNA-dependent RNA polymerase (RdRp)
molecular modeling
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2022.964446/full

Internet

https://www.frontiersin.org/articles/10.3389/fchem.2022.964446/full

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