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. 2021 Jun 30;22(13):7071. doi: 10.3390/ijms22137071

Figure 2.

Figure 2

Binding interactions of ibrutinib and zanubrutinib and the structural proteins of SARS-CoV-2 (SRBD, membrane protein and nucleocapsid phosphoprotein) predicted by LigPlot. (a) Interaction of the N atom of Ser1 in the SRBD and the O atom of ibrutinib. (b) Interaction of the O atom of Glu167 in the membrane protein and the N atom of zanubrutinib. (c) Interaction of the O atom of GLY69 and THR135 in the nucleocapsid phosphoprotein and the N atom of zanubrutinib. SRBD—spike protein receptor-binding domain; O—oxygen; N—nitrogen; blue lines—ligand bonds; orange lines—non-ligand bonds; dotted lines—hydrogen bonds and their length; red semicircles—non-ligand residues involved in hydrophobic contacts; black dots—corresponding atoms involved in hydrophobic contacts.