ZFIN Image: Chun et al., 2022, Figure 3

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Figure Caption

Figure 3

Docking-simulation results between TRPA1 and CAH derivatives. (A) The binding affinity energies (kcal/mol) of 3a−3l with TRPA1 were estimated by AutoDock Vina software. (B) Three-dimensional structure of TRPA1 (PDB code: 6X2J) was used from the Protein Data Bank database (https://www.rcsb.org/; accessed on 10 March 2022). (C) Docking conformations of 3c, 3e, 3f, and 3g showing high affinity with TRPA1 were visualized, and the zoom-in view of each docked ligand inside the TRPA1 was displayed. The structure of ligands was represented as yellow, the residues in the ligands were indicated as pink, and predicted hot spots were shown as blue. CAH, cinnamaldehyde.

Acknowledgments

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