Table 5.

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

Doxycycline dock result with α-CD				Doxycycline dock result with β-CD				Doxycycline 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	− 5.9	0.000	0.000	1	− 7.3	0.000	0.000	1	− 8.1	0.000	0.000
2	− 5.9	2.712	4.572	2	− 7.3	2.607	6.736	2	− 7.7	1.985	4.430
3	− 5.8	1.803	3.978	3	− 7.2	1.742	4.077	3	− 7.6	2.452	6.967
4	− 5.8	2.893	8.117	4	− 7.0	2.749	7.121	4	− 7.4	3.598	6.898
5	− 5.8	3.251	7.913	5	− 6.7	3.140	7.226	5	− 7.3	2.829	6.853
6	− 5.7	2.945	7.876	6	− 6.7	3.146	5.818	6	− 7.2	2.915	6.696
7	− 5.6	2.931	7.466	7	− 6.6	2.390	3.261	7	− 7.2	3.801	6.880
8	− 5.6	3.780	6.452	8	− 6.6	3.148	5.808	8	− 7.1	2.806	7.188
9	− 5.4	3.161	7.438	9	− 6.4	2.059	4.461	9	− 7.1	2.791	7.466