Exploring the in-vivo anti-inflammatory effects and in-silico studies of phytochemicals from Polygonum effusum aerial parts targeting phosphodiesterase-4 (PDE4)

Background: Polygonum effusum Meisn., locally known as Ars-smerte, is a significant food plant yet to be explored in Pakistan for its phytochemical and biological potential. Our objective was to evaluate phytochemical profile of its aerial parts, assess their In-vivo anti-inflammatory activity and In-silico studies targeting PDE4. Methods: A hydromethanolic extract of Polygonum effusum was prepared through maceration. The phytochemical composition was evaluated through total phenolic contents, and total flavonoid contents, and GC-MS analysis. The biological activity was explored through In-vitro antioxidant and antimicrobial potential. In-vivo anti-inflammatory effects were observed in a carrageenan-induced paw edema model. Results: The hydromethanolic extract was rich in phenolic compounds (275.04 ± 4.28 mg GA. Eq. /g DE) and TFC (213.52 ± 5.80 mg Q. Eq. /g DE).17 compounds were detected via GC-MS analysis from this extract. In the antioxidant assays, the same extract showed the highest antioxidant activity (557.15 ± 0.65 mg T. Eq./g DE) in CUPRAC assay. Moderate antibacterial and antiviral activities were observed against all the tested microbial strains. In vivo anti-inflammatory assays showed that a 600 mg/kg dose reduced paw edema by 55 %, supporting the plant’s traditional use for inflammation. Molecular docking demonstrated strong binding affinities of hentriacontane (−5.872), ferulic acid (−5.589), and gallic acid (−4.976) with PDE4, confirmed by stable molecular dynamics interactions. Conclusions: This integrative study demonstrates that P. effusum is a rich source of phytoconstituents with potent antioxidant, antimicrobial, and anti-inflammatory properties. The combined in vitro and in silico findings highlight its potential as a natural source for developing PDE4-targeted anti-inflammatory agents. Further studies, including isolation of active compounds and in vivo toxicity evaluations, are recommended to advance its therapeutic applications.