Figure 3
- ID
- ZDB-FIG-251129-41
- Publication
- Hernández-Silva et al., 2025 - Synergizing Virtual Screening and Zebrafish Models to Identify Resveratrol-Derived Antiaging Polyphenols
- Other Figures
- All Figure Page
- Back to All Figure Page
|
Predicted binding interactions between resveratrol-derived polyphenols and the catalytic subunit of human telomerase, TERT (PDB ID: 3DU6). TERT is shown in green cartoon representation, with interacting amino acid side chains in orange sticks. Each ligand is displayed in green sticks, while resveratrol is highlighted in the inset for comparison. Hydrogen bonds are indicated as dashed lines with distances in Å. Key residues involved in hydrogen bonding include Glu484, Lys592, Arg631, and Phe114, which are recurrently contacted across several ligands. Docking poses illustrate how different polyphenols occupy the catalytic pocket with overlapping orientations to resveratrol, supporting their predicted affinity. Distances represent top-scoring docking solutions obtained with consensus docking (AutoDock4, AutoDock Vina and LeadFinder). |