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. 2023 Apr 7;11:e14936. doi: 10.7717/peerj.14936

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