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Table 10 Biological activities of molecules via PASS server

From: Comparison of new secondgeneration H1 receptor blockers with some molecules; a study involving DFT, molecular docking, ADMET, biological target and activity

Drugs

Pa

Pi

Activity

Desloratadine

0.771*

0.014

Nicotinic alpha2beta2 receptor antagonist

Desloratadine

0.768

0.015

Anaphylatoxin receptor antagonist

Desloratadine

0.765

0.020

Glycosylphosphatidylinositol phospholipase D inhibitor

Desloratadine

0.765

0.024

Antineurotic

Desloratadine

0.731

0.005

4-Hydroxyproline epimerase inhibitor

Levocetirizine

0.909*

0.004

Antieczematic

Levocetirizine

0,904

0.001

Antinaupathic

Levocetirizine

0,902

0,005

Phobic disorders treatment

Levocetirizine

0,852

0,006

Glycosylphosphatidylinositol phospholipase D inhibitor

Levocetirizine

0.761

0.008

CYP2C9 substrate

Fexofenadine

0.819*

0.004

P-glycoprotein substrate

Fexofenadine

0.794

0.006

CYP2A substrate

Fexofenadine

0.788

0.003

HERG 1 channel blocker

Fexofenadine

0.771

0.004

CYP3A3 substrate

Fexofenadine

0.769

0.005

Spasmolytic

CAPE

0.948*

0.004

Membrane integrity agonist

CAPE

0.931

0.003

Feruloyl esterase inhibitor

CAPE

0.887

0.002

Monophenol monooxygenase inhibitor

CAPE

0.852

0.009

Mucomembranous protector

CAPE

0.847

0.003

Antihypoxic

Quercetin

0.973*

0.002

Membrane integrity agonist

Quercetin

0.969

0.002

HIF1A expression inhibitor

Quercetin

0.962

0.001

Peroxidase inhibitor

Quercetin

0.957

0,002

HMOX1 expression enhancer

Quercetin

0.951

0.001

CYP1A inducer

Melatonin

0.914*

0.004

5 Hydroxytryptamine release stimulant

Melatonin

0.878

0.002

Pin1 inhibitor

Melatonin

0.824

0.002

Melatonin 1b antagonist

Melatonin

0.794

0.004

Aryl-acylamidase inhibitor

Melatonin

0.785

0.015

Mucositis treatment

Curcumin

0.936*

0.003

Feruloyl esterase inhibitor

Curcumin

0.898

0.001

Beta-carotene 15,15'-monooxygenase inhibitor

Curcumin

0.900

0.008

Aspulvinone dimethylallyltransferase inhibitor

Curcumin

0.887

0.014

Membrane integrity agonist

Curcumin

0.872

0.003

Monophenol monooxygenase inhibitor

Vitamin C

0.948*

0.002

Vasoprotector

Vitamin C

0.928

0.003

Antioxidant

Vitamin C

0.896

0.001

Procollagen-lysine 5-dioxygenase inhibitor

Vitamin C

0.894

0.005

Acute neurologic disorders treatment

Vitamin C

0.889

0.001

Oxygen scavenger