Table 6 The predicted biological effect by the four shortlisted compounds using PASSOnline webserver at Pa > Pi.

Valganciclovir

 Immunostimulant

0.9

0.004

 Aldehyde oxidase substrate

0.872

0.002

 Antiviral (Herpes)

0.861

0.002

 Antiviral

0.809

0.004

 DNA-directed DNA polymerase inhibitor

0.785

0.003

 Radiosensitizer

0.77

0.004

 Antiinfective

0.77

0.005

 Cytostatic

0.763

0.008

 Immunomodulator

0.749

0.003

 Antiviral (CMV)

0.698

0.001

 Antiviral (Poxvirus)

0.662

0.011

 ADP-thymidine kinase inhibitor

0.664

0.017

 Antineoplastic antimetabolite

0.652

0.005

 Fibroblast growth factor agonist

0.651

0.012

 Macrophage stimulant

0.639

0.005

 Immunosuppressant

0.641

0.024

 Chemosensitizer

0.591

0.007

 Undecaprenyl-phosphate mannosyltransferase inhibitor

0.593

0.011

 DNA synthesis inhibitor

0.589

0.011

 Peptide agonist

0.601

0.028

 DNA polymerase I inhibitor

0.557

0.005

 Mannotetraose 2-alpha-N-acetylglucosaminyltransferase inhibitor

0.594

0.045

 Thiol oxidase inhibitor

0.555

0.016

 Xanthine oxidase substrate

0.528

0.002

 Anticarcinogenic

0.509

0.018

 Dasatinib

 Tyrosine kinase inhibitor

0.825

0.004

 Lck kinase inhibitor

0.802

0.002

 Src kinase inhibitor

0.794

0.003

 Protein kinase inhibitor

0.713

0.007

 Proto-oncogene tyrosine-protein kinase Fyn inhibitor

0.694

0.003

 Proto-oncogene tyrosine-protein kinase Fgr inhibitor

0.687

0.002

 T cell inhibitor

0.604

0.003

 Signal transduction pathways inhibitor

0.569

0.022

 Protein-tyrosine kinase Lyn inhibitor

0.53

0.002

 Immunosuppressant

0.555

0.034

 Growth factor agonist

0.511

0.004

 Protein-tyrosine kinase p55(blk) inhibitor

0.506

0.003

 Anaphylatoxin receptor antagonist

0.55

0.05

Indacaterol

 Adrenergic

0.813

0.003

 Chronic obstructive pulmonary disease treatment

0.717

0.004

 Bronchodilator

0.661

0.003

 Antiasthmatic

0.667

0.01

 Adrenaline agonist

0.655

0.002

 Proteasome ATPase inhibitor

0.662

0.02

 Muramoyltetrapeptide carboxypeptidase inhibitor

0.642

0.02

 Glyceryl-ether monooxygenase inhibitor

0.558

0.039

 Beta adrenoreceptor agonist

0.479

0.002

 Spasmolytic

0.488

0.03

 Uterine relaxant

0.462

0.007

 Mycothiol-S-conjugate amidase inhibitor

0.449

0.034

 HERG 1 channel blocker

0.448

0.035

 UGT2B12 substrate

0.441

0.034

 Mannotetraose 2-alpha-N-acetylglucosaminyltransferase inhibitor

0.479

0.076

 Beta 1 adrenoreceptor agonist

0.395

0.003

 Antidiabetic

0.387

0.047

 Skeletal muscle relaxant

0.363

0.04

 CYP2J2 substrate

0.451

0.13

 Antineoplastic alkaloid

0.342

0.025

Novobiocin

 Antimycobacterial

0.77

0.004

 Antibacterial

0.69

0.005

 Antineoplastic

0.69

0.028

 Lactase inhibitor

0.629

0.01

 DNA gyrase inhibitor

0.524

0.001

 HIF1A expression inhibitor

0.562

0.04

 Anticarcinogenic

0.526

0.017

 CYP2H substrate

0.567

0.083