Table 1. Molecular docking interaction of the diazole-thiole compounds (1-6) against factor H binding protein of Treponema denticola (PDB ID: 3qz0).

Ligands	Docking scores/Affinity (kcal/mol)	H-bond	Amino Acid Residual interactions
			Hydrophobic/Pi-Cation	Van dar Waals
1	-7.1	GLU-66	ILE-63, ALA-41, MSE-59, GLU-45	ARG-49, GLU-62, PHE-38
2	-7	GLU-62	MSE-59, ALA-41, HIS-34, LYS- 37, ALA-55	ASP-58, ARG-49, LEU-42, PHE-38, ILE-63, GLU-66
3	-6.7	GLU-62	ILE-63, MSE-59, GLU-45, ALA-41, LYS-37, HIS-34	PHE-38
4	-6.9		ILE-63, ALA-41, ILE-51, MSE-59	PHE-38, ARG-49, GLU-45, LEU-42
5	-7.1	GLU-66, ALA-55, ALA-41	ILE-63, MSE-59, ARG-49, GLU-45, ILE-51	LEU-42, PHE-38
6	-7.3	GLU-66	MSE-59, GLU-45, ALA-41, ILE-63	GLU-62, ARG-49, PHE-38
Azithromycin	3.8	ALA-41	MSE-59, GLU-66	ALA-55, LEU-42, ARG-49, ILE-51, GLU-62, GLU-45, ASN-44, LYS-37, HIS-34, ILE-63, PHE-38
Sulfanilamide	-4.4	LYS-37, MSE-59, GLU-62	ILE-63	GLU-66, ALA-41, HIS-34
Sulfamethoxazole	-5.6	ALA-55	MSE-59, LYS-37, ILE-63, ALA-41	LEU-42, GLU-45, PHE-38