Blocking of Protease Mpro of SARS-CoV-2 Coronavirus by 2-Formyl-8-Methyl-3-Carbethoxy Quinoline.

According to molecular docking results (in silico calculations), main protease Mpro of SARS-CoV-2 coronavirus can be blocked by 2-formyl-8-methyl-3-carbethoxy quinoline. The calculations as well as estimation of ADME profile (absorption, distribution, metabolism, and excretion) of this compound provide grounds to consider it as active ingredient against COVID-19 coronavirus, its efficiency is comparable with known inhibitors of SARS-CoV-2. The structure of 2-formyl-8-methyl-3-carbethoxy quinoline is determined by X-ray structure analysis. [ABSTRACT FROM AUTHOR]