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. 2021 May 10;11(5):706. doi: 10.3390/biom11050706

Figure 2.

Figure 2

Virtual screening of small molecule inhibitors targeting SIRPα and PVR from the FDA-approved drugs. (A) The structure of SIRPα from PDB (PDB ID: 2UV3 chain A). The magenta represents the binding area of CD47 on SIRPα, the cyan represents the pocket for small molecule inhibitors calculated by MOE. (B) The structure of PVR from PDB (PDB ID: 3UDW chain C). The magenta represents the binding area of TIGIT on PVR, the cyan represents the pocket for small molecule inhibitors calculated by MOE. (C) The virtual screening procedures of the inhibitors. (D) The blocking efficacy of the small molecule inhibitors of a preliminary test at a single concentration of 100 μM. (E) The blocking efficacy of azelnidipine targeting human CD47/SIRPα and TIGIT/PVR. (F) The blocking efficacy of azelnidipine targeting mouse CD47/SIRPα and TIGIT/PVR. The data are presented as mean ± SEM and are representative of at least three independently performed experiments.