Model of the RNA Polymerase Complex of the SARS-CoV-2 Virus with Favipiravir

A model of a multidomain complex is constructed using molecular modeling methods to explain the mechanism inhibitory effect favipiravir on RNA-dependent RNA polymerase (RdRp) SARS-CoV-2 coronavirus. As initial atomic coordinates, we use cryoelectron microscopy data for apo form RdRp virus and structure hepatitis C virus. After appropriate substitutions, an containing chains potential enzyme inhibitor, in ribosatriphosphate, are constructed. The aqueous shells, which includes more than 100 000 atoms, optimized by dynamics methods. Analysis active site with incorporated molecule makes it possible chemical reaction inhibitor.