Target Based Designing of Anthracenone Derivatives as Tubulin Polymerization Inhibiting Agents: 3D QSAR and Docking Approach

Table 3

Experimental and predicted activity by statistically significant 3D QSAR models.

Serial number	CPD	Experimental activity	3D QSAR
			Model A	Model B	Model C
1	16a	0.61	0.954863	1.883334	0.557213
2	16b	10	11.499623	7.132195	9.999986
3	16c	0.25	0.269992	1.090947	0.673721
4	16d	5	3.800172	1.971551	4.94837
5	16e	5	3.150917	1.865987	5.00000
6	16f	0.5	0.35503	1.849256	0.552787
7	16g	2	1.050406	1.941135	1.385509
8	16h	0.1	1.049594	1.84818	0.160045
9	20c	1.4	0.955137	6.661933	1.623963
10	20e	18	15.152435	10.58147	17.299996
11	20i	0.21	1.40481	5.586993	1.042793
12	26a	2.3	2.150009	2.304161	2.173967
13	26b	2	1.750454	3.292628	1.167205
14	26c	2	1.015052	3.130678	2.307389
15	26d	2.6	3.799828	3.387593	2.553173
16	26e	2	2.149991	2.301159	2.126033
17	26f	2.6	2.300034	2.288864	2.420742
18	26h	1.5	1.460009	3.309645	0.987624
19	26i	1.7	1.700000	1.887163	1.700000
20	26j	1.7	1.700000	1.81553	1.700000
21	27	1.42	1.459991	1.87583	1.05444
22	28c	1.6	0.945001	1.686606	0.763163
23	29b	13	11.500377	10.46197	13.091177
24	29c	15	16.14408	7.330496	14.908823
25	29f	5.1	3.851212	4.275086	4.54596
26	31a	0.29	0.944996	5.508271	0.863511
27	31b	0.22	0.969919	1.652002	1.339498
28	31c	0.25	0.961289	0.397121	0.16449
29	31d	0.24	0.943851	0.394247	0.188792
30	31e	0.23	0.602966	0.95067	0.169955
31	31f	1.6	0.945004	5.805245	1.026488
32	31g	1.7	0.945002	5.826295	0.986579
33	31h	1.9	1.750006	5.900798	1.771209
34	31i	3.4	0.772665	1.069587	1.245819
35	32a	0.93	1.700000	1.900265	1.339195
36	32b	0.72	0.964958	1.363822	1.332919