An insight into the interaction between α-ketoamide- based inhibitor and coronavirus main protease: A detailed in silico study
Sign Up to like & getrecommendations! Published in 2020 at "Biophysical Chemistry"
DOI: 10.1016/j.bpc.2020.106510
Abstract: The search for therapeutic drugs that can neutralize the effects of COVID-2019 (SARS-CoV-2) infection is the main focus of current research. The coronavirus main protease (Mpro) is an attractive target for anti-coronavirus drug design. Further,… read more here.
Keywords: inhibitor; based inhibitor; coronavirus main; main protease ... See more keywords
Ligand-based discovery of coronavirus main protease inhibitors using MACAW molecular embeddings
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Enzyme Inhibition and Medicinal Chemistry"
DOI: 10.1080/14756366.2022.2132486
Abstract: Abstract Ligand-based drug design methods are thought to require large experimental datasets to become useful for virtual screening. In this work, we propose a computational strategy to design novel inhibitors of coronavirus main protease, Mpro.… read more here.
Keywords: coronavirus main; based discovery; main protease; ligand based ... See more keywords