Table 2. Pharmacokinetics properties and biological activities of top five virtually screened compounds (C1, C2, C3, C4, and C5), as determined by web server PASS ( http://www.pharmaexpert.ru/passonline/).
COMPOUND | Possibility of activity (p a ) | Possibility of inactive(p i ) | Biological activities |
---|---|---|---|
C1 | 0.150 0.162 0.784 0.637 |
0.141 0.153 0.006 0.018 |
Antipruritic, non-allergic Antibacterial Proteasome ATPase inhibitor Insulysin inhibitor |
C2 | 0.411 0.863 0.253 0.142 |
0.049 0.004 0.093 0.131 |
Antiallergic Omptin inhibitor Alzheimer’s disease treatment Antineoplastic (renal cancer) |
C3 | 0.243 0.338 0.090 0.140 |
0.196 0.016 0.073 0.010 |
Insulysin inhibitor Antineoplastic Lipoxygenase inhibitor Sulfonylureas |
C4 | 0.808 0.650 0.290 0.258 |
0.005 0.009 0.070 0.138 |
Ant obesity Antidiabetic Alzheimer’s disease treatment Antineoplastic (Multi myeloma) |
C5 | 0.231 0.379 0.734 0.169 |
0.021 0.049 0.031 0.162 |
Osteoarthritis treatment Antidiabetic Nootropic Diabetic nephropathy treatment |