In silico prediction of potential inhibitors for SARS-CoV-2 Omicron variant using molecular docking and dynamics simulation-based drug repurposing.
Eslam A R MohamedIslam M Abdel-RahmanMagdi E A ZakiAhmad Al-KhdhairawiMahmoud M AbdelhamidAhmad M AlqaisiLyana Binti Abd RahimBilal Abu-HusseinAzza A K El-SheikhSayed F AbdelwahabHeba Ali HassanPublished in: Journal of molecular modeling (2023)
of - 75.7304 ± 0.98324 and - 42.693536 ± 0.979056 kJ/mol, respectively. Further clinical studies should be performed for the two best compounds from this study.