Research Article
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 |
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