Pharmacophore Modeling and Docking Studies on Some Nonpeptide-Based Caspase-3 Inhibitors

Table 3

Ligand preparation.

Compound	Activity	Conformers	Compound	Activity	Conformers
6b	4.202	1	19	7.678	29
6c	4.431	1	20	7.071	26
6d	6.678	4	21	7.959	9
6e	5.197	1	22	7.959	13
6f	5.801	1	23	6.18	20
6g	7.357	4	24	7.137	12
6h	5.333	2	25	7.432	18
6i	5.602	2	26	7.721	4
6j	6.337	2	28	7.62	5
6k	7.796	8	29	5.638	14
6l	4.633	7	30	7.62	18
6m	5.26	7	31	8.097	8
6n	5.967	7	32	7.658	15
6o	7.432	16	33	7.699	4
6p	5.091	2	34	8	4
6q	5.595	2	35	8.046	6
6r	7.824	7	36	7.658	3
6t	6.444	2	37	6.391	9
6u	7.046	16	38	7.699	8
6z	7.796	2	39	7.456	3
8a	7.481	4	40	7.77	4
8b	7.699	92	41	7.886	8
8c	7.678	35	42	7.854	6
8d	7.638	37	43	8.097	8
8e	7.26	24	44	8.046	7
8f	8.398	8	45	8.222	8
3	7.268	15	46	8.222	7
4	7.638	17	47	8.301	5
5	7.387	32	48	8.301	29
6	5.26	6	49	8.523	8
7	7.699	8	51	8.398	8
8	7.495	17	54	7.921	39
9	7.013	24	55	7.745	5
10	7.252	14	56	7.854	4
11	7.237	27	57	7.886	5
12	7.26	8	58	8.523	4
13	7.276	41	59	7.086	7
14	7.62	35	60	7.824	4
15	6.818	11	61	6.394	6
16	6.708	56	62	7.745	4
18	7.523	16	63	5.526	3