Phytochemicals and Biofunctional Properties of Portulaca oleracea L.: Integrated in Vitro and in Silico Analyses
TL;DR
Findings indicate that purslane is a rich source of bioactive molecules capable of exerting potent antioxidant and anti-inflammatory effects, and the integration of phytochemical, in vitro, and in silico approaches provides strong scientific evidence supporting its therapeutic potential.
Abstract
Abstract Portulaca oleracea L. (purslane) is a nutritionally and pharmacologically important medicinal plant traditionally valued for its therapeutic benefits. This study aimed to comprehensively investigate the phytochemical composition, antioxidant, and anti-inflammatory activities of its aqueous extract, supported by in silico analyses. Total phenolic, flavonoid, alkaloid, and tannin contents were quantified as 9.85 mg GAE/g, 4.42 mg naringenin/g, 0.61 mg caffeine/g, and 0.05 mg epicatechin/g, respectively. HPLC profiling identified ferulic acid (268.33 μg/g), allantoin (140.66 μg/g), and oleracein A (321.98 μg/g) as major bioactive constituents. In vitro antioxidant assays (DPPH, ABTS, and FRAP) demonstrated strong radical scavenging and reducing power, while protein denaturation and erythrocyte membrane stabilization tests confirmed significant anti-inflammatory activity. In silico molecular docking analyses revealed high binding affinities of these compounds to inflammation and Helicobacter pylori protein targets, suggesting potential anti-inflammatory and antimicrobial mechanisms at the molecular level. These findings indicate that purslane is a rich source of bioactive molecules capable of exerting potent antioxidant and anti-inflammatory effects. The integration of phytochemical, in vitro, and in silico approaches provides strong scientific evidence supporting its therapeutic potential.