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. 2021 Jan 18;13(1):128. doi: 10.3390/v13010128

Figure 5.

Figure 5

In silico docking of the identified compounds on an F-protein microdomain. The co-crystal structure (PDB-ID: 5YZC [30]) of the related measles virus fusion protein with the stabilizing inhibitor AS-48 was used to dock the newly identified hit compounds. (A) Docking pose of F2736-3056 (carbons in green) is shown in an overlay with FIP (carbons in orange). The lysine residue at position 469 of MeV F is shown in magenta, which corresponds to Lys581 of CDV F. Hydrogen bond is shown in black dots (B) Docking pose of F2261-0043 (carbons in orange) in an overlay with AS-48 (carbons in magenta) is shown.