Juncus acutus, acknowledged through its indigenous nomenclature “samar”, is part of the Juncaceae taxonomic lineage, bearing considerable import as a botanical reservoir harboring conceivable therapeutic attributes. Its historical precedence in traditional curative methodologies for the alleviation of infections and inflammatory conditions is notable. In the purview of Eastern traditional medicine, Juncus species seeds find application for their remedial efficacy in addressing diarrhea, while the botanical fruits are subjected to infusion processes targeting the attenuation of symptoms associated with cold manifestations. The primary objective of this study was to unravel the phytochemical composition of distinct constituents within J. acutus, specifically leaves (JALE) and roots (JARE), originating from the indigenous expanse of the Nador region in northeastern Morocco. The extraction of plant constituents was executed utilizing an ethanol-based extraction protocol. The subsequent elucidation of chemical constituents embedded within the extracts was accomplished employing analytical techniques based on high-performance liquid chromatography (HPLC). For the purpose of in vitro antioxidant evaluation, a dual approach was adopted, encompassing the radical scavenging technique employing 2,2-diphenyl-1-picrylhydrazyl (DPPH) and the total antioxidant capacity (TAC) assay. The acquired empirical data showcase substantial radical scavenging efficacy and pronounced relative antioxidant activity. Specifically, the DPPH and TAC methods yielded values of 483.45 ± 4.07 µg/mL and 54.59 ± 2.44 µg of ascorbic acid (AA)/mL, respectively, for the leaf extracts. Correspondingly, the root extracts demonstrated values of 297.03 ± 43.3 µg/mL and 65.615 ± 0.54 µg of AA/mL for the DPPH and TAC methods. In the realm of antimicrobial evaluation, the assessment of effects was undertaken through the agar well diffusion technique. The minimum inhibitory concentration, minimum bactericidal concentration, and minimum fungicidal concentration were determined for each extract. The inhibitory influence of the ethanol extracts was observed across bacterial strains including Staphylococcus aureus, Micrococcus luteus, and Pseudomonas aeruginosa, with the notable exception of Escherichia coli. However, fungal strains such as Candida glabrata and Rhodotorula glutinis exhibited comparatively lower resistance, whereas Aspergillus niger and Penicillium digitatum exhibited heightened resistance, evincing negligible antifungal activity. An anticipatory computational assessment of pharmacokinetic parameters was conducted, complemented by the application of the Pro-tox II web tool to delineate the potential toxicity profile of compounds intrinsic to the studied extracts. The culmination of these endeavors underpins the conceivable prospects of the investigated extracts as promising candidates for oral medicinal applications.

Centaurium erythraea Rafn (“Gosset El Haya”) has long been prized in North African folk medicine, yet Moroccan chemobiological data remain scarce. Ethanol extracts of northern Moroccan aerial parts were profiled by high-performance liquid chromatography (HPLC) and found rich in phenolics, dominated by 4-hydroxybenzoic acid (57.8%) and naringin (10.3%). The extract exhibited strong antioxidant power in the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical-scavenging assay, with a half-maximal inhibitory concentration (IC50) of ≈74 µg mL−1, and a total antioxidant capacity (TAC) of ≈201 µg mL−1 and selective antimicrobial activity, sharply inhibiting Aspergillus niger, Penicillium digitatum, and Rhodotorula glutinis while sparing Staphylococcus aureus. In-silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiling predicted good oral bioavailability for low-molecular-weight acids and aglycones, low toxicity across all metabolites, but absorption liabilities for bulky glycosides. Molecular docking against A. niger esterase (1UKC), C. glabrata lanosterol 14-α-demethylase CYP51 (5JLC), and P. digitatum ethylene-forming oxidoreductase (9EIR) corroborated bioassays: rutin and naringin bound more tightly than fluconazole (ΔG ≈ −9.1 to −10.0 kcal mol−1), whereas quercetin and catechin offered balanced affinity pharmacokinetic profiles. Robust radical scavenging, targeted antifungal potency, and favorable in-silico pharmacokinetics thus position Moroccan C. erythraea as a promising, though standardization-dependent, source of nutraceutical, medicinal, and food-preservation agents. These results support the valorisation of Centaurium erythraea as a promising source for health promotion and green technology applications through its antioxidant, antimicrobial, and drug-like properties.