Table 1.

Software used in the workflow.

Software	Purpose	Link
ChimeraX	Perform docking preparation of the retrieved proteins (albumin and Keratin-26).	https://www.cgl.ucsf.edu/chimerax/download.html
EDock	Perform blind protein–ligand docking between each chemical and each retrieved protein.	https://zhanggroup.org/EDock/
HDock	Perform protein–protein blind docking between the complexes with the beast docking scores and each TLR.	http://hdock.phys.hust.edu.cn/
IEDB	Predict potential epitopes from the complexes with the best docking scores.	https://www.iedb.org/
UISS	Simulate Th1/Th2/Th17 response and cytokine panels.	https://combine-group.org/