Table 9 Bioactivities and pharmacokinetics of selected phytochemicals.

From: ADME/drug-likeness and functional properties of Punica granatum seeds supported with molecular docking, GC-MS and LC-MS/MS analysis

Compound

P-gp

CYP1A2

CYP2C19

CYP2C9

CYP2D6

CYP3A4

2-Oxatricyclo

[4.3.1.0(3,8)]

Decane

No

Ellagic acid

No

+

Gallic acid

No

Pulegone

No

Compound

GPCR L

ICM

KI

NRL

PI

EI

GI

BBB

2-Oxatricyclo

[4.3.1.0(3,8)]

decane

– 0.42

– 0.70

– 1.18

– 0.94

– 0.63

0.23

High

Yes

Ellagic acid

– 0.29

– 0.27

– 0.01

0.11

– 0.18

0.17

High

No

Gallic acid

– 0.77

– 0.26

– 0.88

– 0.52

– 0.94

– 0.17

High

No

Pulegone

– 1.33

– 0.81

– 2.13

– 0.86

– 1.09

– 0.48

High

Yes

  1. GPCR L: G-protein-coupled receptor ligands, ICM: ion channel modulator, KI: kinase inhibitor, NRL: nuclear receptor ligand, PI: protease inhibitor, EI: enzyme inhibitor, GI: gastrointestinal absorption; BBB: blood-brain barrier permeation; CYP1A2, CYP2C19, CYP2C9, CYP2D6, and CYP3A4: cytochrome P450 enzymes (+: active, –: inactive)