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Table 7 The PASS prediction results showing the biological activities of the best 4 ligands and the positive controls

From: Identification of the most potent acetylcholinesterase inhibitors from plants for possible treatment of Alzheimer’s disease: a computational approach

Sl no Biological activities Bellidifolin Naringenin Apigenin Coptisine Donepezil (positive control 1) Galantamine (positive control 2)
Predicted LD50: 4000 mg/kg Predicted LD50: 2000 mg/kg Predicted LD50: 2500 mg/kg Predicted LD50: 1000 mg/kg Predicted LD50: 1500 mg/kg Predicted LD50: 2000 mg/kg
Toxicity class: 5 Toxicity class: 4 Toxicity class: 5 Toxicity class: 4 Toxicity class: 4 Toxicity class: 4
Pa Pi Pa Pi Pa Pi Pa Pi Pa Pi Pa Pi
01 Antioxidant 0.794 0.003 0,732 0,004 0.893 0.003 0.781 0.010
02 Membrane integrity agonist 0.956 0.003 0.964 0.003 0.967 0.002 0.768 0.017 0.813 0.005
03 Antineoplastic 0.742 0.019 0.751 0.018 0.774 0.015 0.823 0.005 0.956 0.002
04 Antimutagenic 0.891 0.002 0.857 0.003 0.921 0.002 0.799 0.009 0.942 0.002
05 Mucomembranous protector 0.710 0.052 0.844 0.010 0.797 0.019 0.773 0.011 0.764 0.014
06 Membrane integrity agonist 0.754 0.010 0.924 0.003 0.967 0.002 0.834 0.004 0.720 0.015
07 TP53 expression enhancer 0.853 0.007 0.822 0.009 0.873 0.006 0.920 0.002 0.798 0.008
08 Lipid peroxidase inhibitor 0.755 0.004 0.815 0.003 - - 0.875 0.009 0.909 0.005
09 HIF1A expression inhibitor 0.937 0.004 0.911 0.005 0.911 0.005 0.751 0.019 0.866 0.009
10 APOA1 expression enhancer 0.702 0.005 0.836 0.003 0.826 0.003 0.918 0.002 0.978 0.001
11 Free radical scavenger 0.719 0.004 0.769 0.003 0.719 0.004 0.911 0.005 0.782 0.010
12 Peroxidase inhibitor 0.908 0.003 0.818 0.004 0.924 0.002 0.912 0.008 0.930 0.003
13 Vasoprotector 0.758 0.007 0.707 0.010 0.891 0.003 0.711 0.022 0.748 0.013
14 Histidine kinase inhibitor 0.889 0.002 0.892 0.002 0.918 0.002 0.931 0.003 0.814 0.011
15 Apoptosis agonist 0.833 0.006 0.709 0.014 0.847 0.005   0.891 0.006 0.951 0.001