Table 4.

Molecular docking details of 6-desmethylgriseofulvin (6-DMG) interaction with Keratin 8 (K8), and Keratin 18 (K18) in Human, Rat, and Mouse.

Keratin	Species	PDB or Alpha Fold IDs	ΔGbinding (Kcal/mol)	Hydrogen Bond	Hydrophobic Interaction
K8	Human	3K3C	−4.04	GLY 62, THR 64	GLY 61, GLY 62
		7K3X	−3.71	ILE 63	ILE 63
		7K3Y	−3.95	GLY 56, SER 58	GLY 56, SER 58
		P05787F1	−4.85	LEU 72	LEU 72, PRO 75, VAL 77
	Mouse	P11679F1	−4.29	GLN 134, SER 138	LEU 131, GLN 134, GLN 135, SER 138
	Rat	Q10758F1	−4.50	SER 21	ARG 18, ALA 19
K18	Human	A0A024RAY2F1	−4.88	TYR94	LEU 91, TYR 94
		P05783F1	−4.81	GLU 236	SER230, SER 231, LEU 233, VAL 235, GLU 236
	Mouse	P05784F1	−5.61	LEU 108, TPR 119	LYS 111, PRO 113, VAL 116
	Rat	Q5BJY9F1	−5.33	ARG 346, GLN 350, ARG 404	ARG 346, GLN 350, VAL 411