Identification of potential bioactive compounds from Azadirachta indica (Neem) as inhibitors of SARS-CoV-2 main protease: Molecular docking and molecular dynamics simulation studies
Donny Ramadhan, Firdayani Firdayani, Nihayatul Karimah, Elpri Eka Permadi, Sjaikhurrizal El Muttaqien, Agus Supriyono
DOI: 10.7324/JAPS.2023.139799Pages: 040-049
Repurposing of eluxadoline as a SARS-CoV-2 main protease inhibitor: E-Pharmacophore based virtual screening, molecular docking, MM-GBSA calculations, and molecular dynamics simulations studies
Magdi A. Mohamed, Alaa F. Alanazi, Waad A. Alanazi, Tilal Elsaman, Malik S. Mohamed, Eyman M. Eltayib
DOI: 10.7324/JAPS.2024.204792Pages: 102-110
