The inhibitory activity of methoxyl flavonoids derived from Inula britannica flowers on SARS-CoV-2 3CLpro

Inhibition by components of Glycyrrhiza uralensis of 3CLpro and HCoV-OC43 proliferation

“…After starting the reaction at 37 °C, the product was quantified using a fluorescence spectrophotometer at emission and excitations wavelengths of 530 and 340 nm, respectively, with a gain of 85 for 30 min. 17 …”

“…This study was performed as described by Kim et al. 17 The three-dimensional (3D) structures of the compounds were constructed and minimised using Chem3D Pro (CambridgeSoft, Cambridge, MA, USA). The 3D structure of SARS CoV-2 3CLpro coded in 7END was downloaded from the RCSB Protein Data Bank.…”

“…The resulting values were calculated and represented using Chimaera 1.14 (San Francisco, CA, USA), and LIGPLOT (European Bioinformatics Institute, Hinxton, UK). 16 , 17 …”

“…Molecular dynamics analysis was performed as described previously. 17 The Gromacs 4.6.5 package was used to simulate the complex of 3CLpro with polyphenols. The complex was charged by a Gromos96 54a6 force field.…”

“…The data were visualised using SigmaPlot (San Jose, CA, USA) and Chimaera (San Francisco, CA, USA). 16 , 17 , 19 …”