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. 2024 Sep 15;5(10):e711. doi: 10.1002/mco2.711

FIGURE 2.

FIGURE 2

ZYZ384 binds and inhibits SMYD3 activity. (A) The best combination mode; (B) the two‐dimensional (2D) interaction of ZYZ384 and SMYD3); (C) three‐dimensional interaction of ZYZ384 and SMYD3; (D) the active binding pocket; (E) the root mean square displacement during the molecular dynamics (MD) simulation; (F) the root mean square fluctuation during the MD simulation; (G) the energetic decomposition of main individual residues; (H) the energetic contribution of main individual residues; (I) the SMYD3 Homogeneous Assay Kit was used to detect the SMYD3 activity exposed to different concentrations of ZYZ384. The alpha counts were recorded and analyzed with GraphPad 8.0.