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Table 3 Docking results based on the LigScore1, LigScore2, PLP1, PLP2, Jain, PMF and Dock Score of the compounds 1, 2 and 3 into the α-glucosidase enzyme (PDB: 1UOK)

From: Target guided isolation, in-vitro antidiabetic, antioxidant activity and molecular docking studies of some flavonoids from Albizzia Lebbeck Benth. bark

S. no.

Compound

LigScore1

LigScore2

PLP1

PLP2

JAIN

PMF

Dock score

Internal energy (kcal/mol)

1

4′,7-Dihydroxy-3′-methoxyflavone (Compound 1)

4.03

3.43

48.65

49.25

2.1

125.25

61.18

-3.53

2

3′,4′,7,8-tetrahydroxyflavanone (Compound 2)

4.08

4.19

43.78

49.02

1.03

86.89

68.86

-3.189

3

Luteolin (Compound 3)

4.7

4.47

43.67

47.4

-0.15

94.85

66.91

-2.423