Table 3.

Tetracycline dock results with α, β, and γ -CD.

Tetracycline dock result with α-CD				Tetracycline dock result with β-CD				Minocycline dock result with γ -CD
Mode	Affinity	Dist from best mode		Mode	Affinity	Dist from best mode		Mode	Affinity	Dist from best mode
	(kcal/mol)	rmsd l.b.	rmsd u.b.		(kcal/mol)	rmsd l.b.	rmsd u.b.		(kcal/mol)	rmsd l.b.	rmsd u.b.
1	− 6.3	0.000	0.000	1	− 7.0	0.000	0.000	1	− 7.4	0.000	0.000
2	− 6.2	2.777	7.752	2	− 6.9	3.134	7.282	2	− 7.3	1.892	4.090
3	− 5.9	2.104	4.194	3	− 6.9	1.568	1.994	3	− 7.0	3.169	7.253
4	− 5.7	3.626	6.064	4	− 6.7	3.210	6.978	4	− 6.9	1.915	2.284
5	− 5.7	3.258	7.713	5	− 6.6	2.221	3.207	5	− 6.8	3.021	7.309
6	− 5.5	2.963	6.036	6	− 6.4	3.092	5.494	6	− 6.7	3.019	7.574
7	− 5.4	3.520	6.571	7	− 6.4	2.762	4.671	7	− 6.6	3.062	7.369
8	− 5.4	2.798	4.967	8	− 6.2	3.081	5.202	8	− 6.5	2.748	7.730
9	− 5.0	4.190	6.611	9	− 6.1	3.037	6.951	9	− 6.5	2.791	7.402