Figure 7.
The Rg plots of unligated Mpro and Mpro complexed with two selected standards and three T. nucifera biflavonoids. The Rg plots of unligated Mpro, Mpro-N3 and Mpro-lopinavir complexes are plotted in panel A while panel B represents the Rg plots of unligated Mpro, Mpro-amentoflavone, Mpro-bilobetin and Mpro-ginkgetin complexes. The MD simulations for each system were performed for 100 ns.