Journal: Frontiers in Immunology
Article Title: Artemisinin derivatives modulate KEAP1-NRF2-xCT pathway to alleviate Sjögren’s disease: insights from scRNA-seq and systems biology
doi: 10.3389/fimmu.2025.1626230
Figure Lengend Snippet: Artesunate inhibits IFN-γ induced SGEC ferroptosis via the KEAP1-NRF2-xCT axis. (A, B) Molecular docking analysis of artesunate with human/mouse KEAP1: (A) Left: best docking conformation of the KEAP1-artesunate complex; Right: 3D molecular interactions identified by PLIP (blue line: hydrogen bond; gray dashed line: hydrophobic interaction; yellow line: salt bridge); (B) 2D interaction diagram generated by Discovery Studio. (C) Key docking metrics, including binding affinity (ΔG, kcal/mol), logarithmic inhibition constant (logKi, M), efficiency indices (LE, SILE, LLE, LELP), and interaction types (HB: hydrogen bonds, HI: hydrophobic interactions, SB: salt bridges; calculated via AutoDock Vina). (D-F) Western blot and quantification of ferroptosis-related proteins (TFRC, GPX4) and KEAP1-NRF2-xCT axis components (KEAP1, NRF2, xCT) (n=3). Data are presented as mean ± SEM. *p<0.05, **p<0.01, ***p<0.001; Ns, not significant.
Article Snippet: Artesunate (MedChemExpress, Monmouth Junction, NJ, USA) was dissolved in a mixture of PEG300, Tween-80, and saline (stored at 4 °C).
Techniques: Generated, Binding Assay, Inhibition, Western Blot