Table 3 Identification of key metabolites by GC-MS analysis in steatotic NAFLD and after phytochemical treatment.

From: In silico and in vitro investigations reveal pan-PPAR agonist activity and anti-NAFLD efficacy of polydatin by modulating hepatic lipid-energy metabolism

S. No.

 

Steatosis

Silymarin

Polydatin

 

Steatosis

Silymarin

Polydatin

Media

 

Retention time

Aqueous phase

Retention time

Organic phase

1

3.46

Acetic acid (1.7)

Acetic acid (1.38)

Acetic acid (1.74)

3.46

Acetic acid (0.99)

Acetic acid (2.31)

2

13.65

Lactic acid (2.1)

Lactic acid (2.26)

    

3

14.5

 

L-Alanine (1.91)

    

4

25.1

L-Glutamic acid (1.98)

    

5

25.49

Palmitic Acid (1.97)

Palmitic Acid (2.09)

Palmitic Acid (2.01)

    

6

27.83

Stearic acid (2.02)

Stearic acid (2.08)

Stearic acid (2.1)

    

Cell lysate

 

Retention time

Aqueous phase

Retention time

Organic phase

1

3.46

Acetic acid (1.44)

Acetic acid (1.71)

Acetic acid (1.6)

2.41

Acetic acid (2.37)

2

13.64

Lactic acid (2.31)

Lactic acid (2.1)

Lactic acid (2.29)

16.3

Methyl palmitate (1.82)

Methyl palmitate (1.98)

Methyl palmitate (1.69)

3

14.49

L-Alanine (1.86)

L-Alanine (1.86)

17.99

Methyl oleate (1.69)

Methyl oleate (1.61)

Methyl oleate (1.63)

4

14.66

Glycerol (1.97)

Glycerol (1.98)

Glycerol (1.9)

18.22

Methyl stearate (2.53)

Methyl stearate (2.23)

Methyl stearate (2.16)

5

14.96

Glycine (1.84)

Glycine (1.91)

    

6

20.43

Phosphoric acid (2.01)

Phosphoric acid (2.01)

Phosphoric acid (2)

    

7

23.6

L-Aspartic acid (1.91)

    

8

24.64

Hypoxanthine (2.05)

Hypoxanthine (2.08)

    

9

25.1

L-Glutamic acid (1.99)

L-Glutamic acid (1.92)

L-Glutamic acid (2)

    

10

27.83

Stearic acid (2.01)

Stearic acid (1.94)

Stearic acid (2.06)

    

11

28.13

L-Pyroglutamic acid (2)

L-Pyroglutamic acid (2.01)

    
  1. The table presents the GC/MS analysis of important metabolites identified in both the cell-lysate and the cell-supernatant (media) samples. These analyses have been carried out both in the organic and aqueous phases. Values in brackets indicate A/H ratio.