Dysphania ambrosioides as a Source of Antioxidant Candidates for Benign Prostatic Hyperplasia (BPH) and Prostatitis: A Critical Review and In Silico Prioritization

Benign prostatic hyperplasia (BPH) is a multifactorial disease associated with chronic inflammation, oxidative stress, and androgenic imbalance. Dysphania ambrosioides (L.) Mosyakin & Clemants contains flavonoids and phenolic acids with well-recognised antioxidant and anti-inflammatory properties; however, its potential activity against the molecular targets of BPH has not been systematically evaluated. A comparative quantitative analysis was performed using studies published between 2005 and 2025 that reported antioxidant activity (DPPH assay, IC₅₀ in µg/mL) of D. ambrosioides extracts. Metabolites from extracts with IC₅₀ values below the global mean (398.410 ± 81.810 µg/mL; n = 35) were selected for in silico prioritisation using OSIRIS, PASS, and ProTox 3.0, followed by molecular docking (CB-Dock2) against AR, 5AR2, COX-2, NLRP3, and α1A receptors. Luteolin and rosmarinic acid exhibited favourable binding affinities (-9.5 to -7.7 kcal/mol) comparable in magnitude to pharmacological controls (finasteride -13.4, celecoxib -11.4, tamsulosin -7.3 kcal/mol). Rosmarinic acid was particularly effective on androgenic targets, whereas luteolin showed higher affinity for inflammatory and adrenergic targets. This study integrates, for the first time, a quantitative assessment of antioxidant activity with a multitarget in silico evaluation of D. ambrosioides, prioritising luteolin and rosmarinic acid as natural candidates with potential antioxidant, anti-inflammatory, and antiandrogenic properties relevant to BPH and prostatitis.