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
This study highlights the regulatory potential antibacterial and antiradical of Origanum elongatum essential oil(EO),an endemic medicinal plant of Morocco used for its various properties.The chemical composition of th...This study highlights the regulatory potential antibacterial and antiradical of Origanum elongatum essential oil(EO),an endemic medicinal plant of Morocco used for its various properties.The chemical composition of the EO was characterized using gas chromatography-mass spectrometry(GC-MS).The antibacterial activity against different agricultural phytopathogens was determined by disc diffusion and microatmosphere methods,as well as by the determination of minimum inhibitory concentrations(MIC)and minimum bactericidal concentration(MBC),while the antioxidant activity was evaluated by DPPH and FRAP assays.To complement the experimental analyses,a molecular docking approach was used to predict and elucidate the mechanisms of action of the identified bioactive com-pounds,both for their antioxidant and antibacterial properties.The GC-MS analysis revealed a chemical composition dominated by the major compounds:p-cymene-2-ol(25.31%),thymol(23.88%),andγ-terpinene(19.26%).Furthermore,antibacterial analyses performed using different methodological approaches(disc diffusion,microatmosphere,MIC,and MBC)showed significant inhibitory activity against all phytopathogens tested.Moreover,O.elongatum EO exhibited interesting antioxidant ability with an IC_(50) value of 168.251.14μg/mL for DPPH assay and EC_(50) value±of 164.221.04μg/mL for FRAP assay.Furthermore,in silico molecular docking demonstrated further insights into±the interactions between the oil’s active components and bacterial targets,supporting its mode of action.This in-depth characterization highlights the potential of O.elongatum EO as a natural alternative for the biocontrol of plant pathogens.It opens new perspectives for developing natural solutions to protect crops against plant diseases.展开更多
Thymus serpyllum L.,often known as wild thyme,has been used since ancient times due to its multifaceted culinary and medicinal attributes.It is usually utilized in folk medicine to manage different health issues.This ...Thymus serpyllum L.,often known as wild thyme,has been used since ancient times due to its multifaceted culinary and medicinal attributes.It is usually utilized in folk medicine to manage different health issues.This work aimed to investigate the chemical composition and biological characteristics of T.serpyllum essential oil(EO),including its antimicrobial,antioxidant,and anti-inflammatory capabilities.Moreover,we have prompted an in-silico simulation to reveal the underlying mode of action of these properties.The chemical characterization of T.serpyllum(EO)by Gas Chromatography-Mass Spectrometry(GC-MS)indicated sabinene(17.33%),terpinen-4-ol(11.73%),phellandral(13.18%),and thymol(10.54%)as main components.The antimicrobial screening utilized the disc-diffusion technique,MIC,and MBC assays.The disc-diffusion test’s results revealed significant anti-Candida activity and notable antibacterial efficacy.The MIC and MBC tests showed that T.serpyllum EO effectively stops bacterial growth,including Gram-positive and Gram-negative strains and Candida strains.The tolerance level ratio demonstrated that this EO exhibits bactericidal and fungicidal effects on all tested bacteria and Candida strains.Also,T.serpyllum EO presented effective inhibitory activity against the 5-lipoxygenase(5-LOX)enzyme(IC50=744.19±0.1µg/mL)(p<0.05).It also effectively affected FRAP,β-carotene,DPPH,and ABTS radicals.In light of these findings,T.serpyllum holds promise for diverse applications across pharmaceuticals,nutraceuticals,and the food industry.However,further research and collaboration between traditional knowledge and modern medicine are crucial to fully realizing its potential benefits in these fields.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.
文摘This study highlights the regulatory potential antibacterial and antiradical of Origanum elongatum essential oil(EO),an endemic medicinal plant of Morocco used for its various properties.The chemical composition of the EO was characterized using gas chromatography-mass spectrometry(GC-MS).The antibacterial activity against different agricultural phytopathogens was determined by disc diffusion and microatmosphere methods,as well as by the determination of minimum inhibitory concentrations(MIC)and minimum bactericidal concentration(MBC),while the antioxidant activity was evaluated by DPPH and FRAP assays.To complement the experimental analyses,a molecular docking approach was used to predict and elucidate the mechanisms of action of the identified bioactive com-pounds,both for their antioxidant and antibacterial properties.The GC-MS analysis revealed a chemical composition dominated by the major compounds:p-cymene-2-ol(25.31%),thymol(23.88%),andγ-terpinene(19.26%).Furthermore,antibacterial analyses performed using different methodological approaches(disc diffusion,microatmosphere,MIC,and MBC)showed significant inhibitory activity against all phytopathogens tested.Moreover,O.elongatum EO exhibited interesting antioxidant ability with an IC_(50) value of 168.251.14μg/mL for DPPH assay and EC_(50) value±of 164.221.04μg/mL for FRAP assay.Furthermore,in silico molecular docking demonstrated further insights into±the interactions between the oil’s active components and bacterial targets,supporting its mode of action.This in-depth characterization highlights the potential of O.elongatum EO as a natural alternative for the biocontrol of plant pathogens.It opens new perspectives for developing natural solutions to protect crops against plant diseases.
文摘Thymus serpyllum L.,often known as wild thyme,has been used since ancient times due to its multifaceted culinary and medicinal attributes.It is usually utilized in folk medicine to manage different health issues.This work aimed to investigate the chemical composition and biological characteristics of T.serpyllum essential oil(EO),including its antimicrobial,antioxidant,and anti-inflammatory capabilities.Moreover,we have prompted an in-silico simulation to reveal the underlying mode of action of these properties.The chemical characterization of T.serpyllum(EO)by Gas Chromatography-Mass Spectrometry(GC-MS)indicated sabinene(17.33%),terpinen-4-ol(11.73%),phellandral(13.18%),and thymol(10.54%)as main components.The antimicrobial screening utilized the disc-diffusion technique,MIC,and MBC assays.The disc-diffusion test’s results revealed significant anti-Candida activity and notable antibacterial efficacy.The MIC and MBC tests showed that T.serpyllum EO effectively stops bacterial growth,including Gram-positive and Gram-negative strains and Candida strains.The tolerance level ratio demonstrated that this EO exhibits bactericidal and fungicidal effects on all tested bacteria and Candida strains.Also,T.serpyllum EO presented effective inhibitory activity against the 5-lipoxygenase(5-LOX)enzyme(IC50=744.19±0.1µg/mL)(p<0.05).It also effectively affected FRAP,β-carotene,DPPH,and ABTS radicals.In light of these findings,T.serpyllum holds promise for diverse applications across pharmaceuticals,nutraceuticals,and the food industry.However,further research and collaboration between traditional knowledge and modern medicine are crucial to fully realizing its potential benefits in these fields.
