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Table 11 Binding affinities (kJ/mol) and in vitro inhibitory activity (IC50) of different PLA2 inhibitors

From: Computational investigations of physicochemical, pharmacokinetic, toxicological properties and molecular docking of betulinic acid, a constituent of Corypha taliera (Roxb.) with Phospholipase A2 (PLA2)

Compound name

IC50 (μM) [86,87,88]

Binding affinity

(kJ/mol)

LY 311727

< 1

−39.75

Manoalide

16

−39.33

Indomethacin

35

−36.82

Manoalogue

26

−34.31

Aristolochic Acid

40

−33.89

1,1,1-Trifluoro-2-heptadecanone

45

−27.20