BioMed Research International

Research Article

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

Table 2

Caspase-3 inhibitors (Series II) with the observed and the predicted biological activities.
306081.table.002
CompoundRIC50 (M)pIC50 observedpIC50 predicted
3306081.fig.009 7.2687.23
4306081.fig.0010 7.6387.70
5306081.fig.0011 7.3877.48
6306081.fig.0012 5.266.05
7306081.fig.0013 7.6997.89
8306081.fig.0014 7.4957.37
9306081.fig.0015 7.0136.90
10306081.fig.0016 7.2527.01
11306081.fig.0017 7.2377.16
12306081.fig.0018 7.267.12
13*306081.fig.0019 7.2767.02
14*306081.fig.0020 7.627.27
15306081.fig.0021 6.8186.64
16306081.fig.0022 6.7086.30
18306081.fig.0023 7.5237.38
19*306081.fig.0024 7.6787.67
20306081.fig.0025 7.0716.96
21306081.fig.0026 7.9598.02
22306081.fig.0027 7.9597.53
23306081.fig.0028 6.186.21
24306081.fig.0029 7.1377.02
25306081.fig.0030 7.4327.59
26306081.fig.0031 7.7217.58
28306081.fig.0032 7.627.57
29306081.fig.0033 5.6386.54
30306081.fig.0034 7.627.64
31306081.fig.0035 8.0978.11
32306081.fig.0036 7.6587.73
33306081.fig.0037 7.6997.91
34306081.fig.0038 87.92
35*306081.fig.0039 8.0467.41
36306081.fig.0040 7.6587.78
37*306081.fig.0041 6.3917.26
38306081.fig.0042 7.6997.32
39*306081.fig.0043 7.4567.58
40*306081.fig.0044 7.777.45
41*306081.fig.0045 7.8867.51
42306081.fig.0046 7.8547.94
43306081.fig.0047 8.0978.40
44306081.fig.0048 8.0468.37
45306081.fig.0049 8.2228.36
46306081.fig.0050 8.2228.16
47*306081.fig.0051 8.3018.01
48306081.fig.0052 8.3018.45
49306081.fig.0053 8.5238.42
51*306081.fig.0054 8.3988.47
54306081.fig.0055 7.9217.88
55*306081.fig.0056 7.7457.91
56306081.fig.0057 7.8548.00
57*306081.fig.0058 7.8867.98
58306081.fig.0059 8.5238.19
59*306081.fig.0060 7.0868.05
60306081.fig.0061 7.8247.32
61306081.fig.0062 6.3946.21
62306081.fig.0063 7.7457.65
63306081.fig.0064 5.5266.46
Compounds involved in the test set.