Phenolic constituents, antioxidant and α-amylase inhibitory activities of Pulicaria vulgaris growilig in Tunisia: an in vitro and in silico study

The present research aimed to establish the polyphenolic profile and to appraise the antioxidant and anti-alpha-amylase activities of the EtOAc and BuOH extracts from the aerial parts of Pulicaria vulgaris. Total phenolics and flavonoids of both extracts were quantified. A total of 4 and 19 polyphenolic compounds were identified in the EtOAc (major component: methylcatechin: 261.51 +/- 0.03 g kg(-1)) and BuOH extracts (major component: 1,3-O-caffeoylquinic acid:12.95 +/- 0.12g kg(-1)), respectively, by HPLC-PDA/ESI-MS analysis. P vulgaris extracts showed interesting in vitro antioxidant properties. The EtOAc and BuOH extracts exhibited an alpha-amylase inhibitory action (IC50 values of 10.0 and 7.5 mu gmL(-1), respectively). It has been shown that the EtOAc extract produced an uncompetitive inhibition against alpha-amylase, while the BuOH extract inhibited this enzyme in mixed manner. The molecular docking analysis of the major constituents of BuOH extract showed a low binding energy, a correct mode of interaction in the active pocket of the enzyme, and an ability to interact with the key residues of glycosidic cleavage (GLU-230 and ASP-206), which can explain the strong inhibitory effect of a-amylase established by the BuOH extract. This is the first report on the polyphenolic composition, antioxidant and anti-alpha-amylase activities of the extracts from the aerial parts of P. vulgaris.

Automated summary

This research aimed to analyze the polyphenolic profile and assess the antioxidant and anti-alpha-amylase activities of extracts from Pulicaria vulgaris. The extracts were found to contain various polyphenolic compounds and exhibited antioxidant properties and inhibitory effects on alpha-amylase.