Blocking key mutated hotspot residues in the RBD of the omicron variant (B.1.1.529) with medicinal compounds to disrupt the RBD-hACE2 complex using molecular screening and simulation approaches
Abbas Khan, AsfandYar Waheed Randhawa, Ali Raza Balouch, Naila Mukhtar, Abrar Mohammad Sayaf, Muhammad Suleman, Taimoor Ashraf Khan, Shahid Ali, Syed Shujait Ali, Yanjing Wang, Anwar Mohammad, Dong‐Qing Wei · RSC Advances · 2022
) analysis also indicated the anti-viral properties of these compounds. In conclusion, this study will help in the design and discovery of novel drug therapeutics, which may be used against the emerging omicron variant of SARS-CoV-2.