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...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(IC_(50))of≈74μg mL^(−1),and a total antioxidant capacity(TAC)of≈201μg 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,lowtoxicity 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 ethyleneforming 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.展开更多
文摘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(IC_(50))of≈74μg mL^(−1),and a total antioxidant capacity(TAC)of≈201μg 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,lowtoxicity 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 ethyleneforming 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.
