Table 7.

The binding energies (kJ∙mol⁻¹) of the 18 phenolic acid derivatives with seven protein targets.

No.	3RLW	1YPK	2J4I	3GHG	2ANT	1QRZ	3H5C
Cd. 1	−22.50	−16.81	−16.02	−15.06	−17.25	−15.50	−13.13
Cd. 2	−20.31	−17.26	−16.83	−16.23	−18.03	−16.18	−14.56
Cd. 3	−20.60	−19.07	−17.41	−18.31	−19.92	−18.81	−15.54
Cd. 4	−18.26	−20.75	−19.07	−19.25	−23.17	−18.31	−17.48
Cd. 5	−18.50	−16.36	−16.48	−17.47	−17.74	−15.39	−13.44
Cd. 6	−16.43	−22.06	−18.85	−20.40	−22.44	−19.83	−18.89
Cd. 7	−22.75	−19.92	−18.40	−15.99	−21.11	−17.17	−17.17
Cd. 8	−12.92	−13.87	−14.13	−15.60	−15.41	−13.58	−11.24
Cd. 9	−18.18	−18.22	−17.20	−25.48	−20.47	−17.43	−13.69
Cd. 10	−16.03	−21.16	−18.83	−20.94	−22.51	−18.40	−16.92
Cd. 11	−22.11	−22.18	−19.33	−20.94	−23.08	−20.19	−19.79
Cd. 12	−24.47	−24.77	−21.79	−23.60	−25.98	−20.29	−20.61
Cd. 13	−19.12	−20.45	−19.28	−23.60	−21.07	−18.31	−16.44
Cd. 14	−19.62	−20.11	−18.40	−20.58	−21.17	−18.05	−16.58
Cd. 15	−21.47	−20.68	−19.66	−18.84	−22.91	−20.39	−19.87
Cd. 16	−14.65	−18.73	−16.56	−17.05	−19.23	−16.57	−15.34
Cd. 17	−20.52	−20.87	−19.87	−18.58	−23.73	−20.41	−19.68
Cd. 18	−21.03	−21.79	−21.73	−16.37	−21.31	−17.05	−18.88
Ave.	−19.42	−19.73	−18.32	−19.13	−20.92	−17.88	−16.63