Table 7. Comparative Protein–Ligand Binding Properties of 4a–l and Their SAHA Derivatives.

	docking score		binding energy		binding affinity Pki		efficiency
entry	pure compound	SAHA derivative	pure compound	SAHA derivative	pure compound	SAHA derivative	pure compound	SAHA derivative
4a	–12.5	–11.9	–18.7	–28.9	10.2	11.70	0.605	0.335
4b	–13.8	–11.7	–19.0	–7.70	10.4	10.70	0.612	0.306
4c	–12.0	–12.0	–9.40	10.20	8.20	11.20	0.459	0.314
4d	–14.6	–13.0	–23.0	–19.80	8.70	11.17	0.517	0.319
4e	–10.0	–10.7	–9.22	495.0	6.05	2.700	0.303	0.070
4f	–13.2	–12.3	–7.30	–28.04	8.46	10.90	0.420	0.289
4g	–12.1	–13.0	–0.949	–30.2	8.10	11.02	0.390	0.290
4h	–13.5	–13.8	–19.80	–24.7	9.40	11.42	0.474	0.300
4i	–11.0	–12.5	–14.20	–29.4	6.60	12.20	0.302	0.305
4j	–13.3	–13.4	–5.90	–22.46	9.90	14.30	0.434	0.359
4k	–11.6	–12.4	–5.80	12.50	7.60	9.600	0.334	0.230
4l	–14.0	–15.25	–12.1	–37.044	9.80	12..88	0.448	0.322