Enzyme Inhibition Activity Both in vitro and in silico Screening of Triphala Plant Extracts on Phospholipase A2

Abstract

Objectives: The present work was aimed to determine the effect on the Phospholipase A2 (PLA2) enzyme and conduct its antioxidant nature, phytochemical analyses of the Triphala compound’s extract, an Ayurvedic Rasayana made from Terminalia chebula, Emblica officinalis and Terminalia bellirica and also, the molecular docking study.Methods: Twelve Triphala compounds are extracted from Gas chromatography-mass spectrometry, Phytochemical study, the Triphala’s inhibitory effect on antioxidant property and PLA2 assay. To study each compound’s degree by docking software like iGEMDOCK, Auto dock Vina, and overlapping on the PLA2 enzymes like Naja naja, Human sPLA2, Bee and Scorpion venoms phospholipase.Results: Phytochemical screening revealed the presence of phenolics, alkaloids, saponins, flavonoids and tannins. Methanolic extract of Triphala fruit powder also showed good scavenging ability compared to the superoxide. IC50 value of seed powder extract is 23.12 µg/ml whereas standard, i.e. superoxide is at 32.66 µg/ml, respectively. IC50 scavenging activity was 31.18. µg/ml and 32.66 µg/ml standard, respectively. Moreover, it shows a better interaction of bioactive compounds with the PLA2 enzyme. Morin (3,5,7,2’,5’-Pentahydroxyflavone) 9,10 anthraquinone was found to be a better inhibitor among the compounds, with a binding energy -82.6534K. cal/mol, -73.9662K.cal/mol respectively and hydrogen bonding with PRO61 and ARG-59, the primary amino acid residues at the active site of PLA2.Conclusion: The study will allow the Triphala compounds that contain lead in oncological therapy and other inflammatory diseases to be improved.

Keywords: Inflammation; Triphala; Molecular Docking; Phospholipase A2; Gas chromatography-Mass spectrometry; DPPH radical scavenging activity