Skip to main content
. Author manuscript; available in PMC: 2023 Jan 5.
Published in final edited form as: J Am Soc Mass Spectrom. 2021 Dec 23;33(1):181–188. doi: 10.1021/jasms.1c00318

Figure 6.

Figure 6.

Computational based modeling of the binding of licochalcone A to the SARS-CoV-2 spike S1 protein C-terminal domain (S1-CTD) orthosteric site using AutoDock Vina. A) The active site residues of the S1 protein are shown in yellow. B) licochalcone A (cyan) is predicted to bind at the orthosteric site at −6.5 kcal/mol free energy of binding.