β-Blockers bearing hydroxyethylamine and hydroxyethylene as potential SARS-CoV-2 Mpro inhibitors: rational based design,<i>in silico</i>,<i>in vitro</i>, and SAR studies for lead optimization
Mohammed I. A. Hamed, Khaled M. Darwish, Raya Soltane, Amani Chrouda, Ahmed Mostafa, Noura M. Abo Shama, Sameh S. Elhady, Hamada S. Abulkhair, Ahmed E. Khodir, Ayman Abo Elmaaty, Ahmed A. Al‐Karmalawy
Abstract
Hydroxyethylamine and hydroxyethylene moieties of β-blockers exert potential SARS-CoV-2 inhibitory effects: rational-based design and in silico , in vitro , and SAR Studies.
Topics & Concepts
In silicoIn vitroChemistryBearing (navigation)BiochemistryComputer scienceGeneArtificial intelligenceComputational Drug Discovery MethodsPharmacological Receptor Mechanisms and EffectsVitamin C and Antioxidants Research