Moumen Bouchra El, Bouzoubaa Amal, Drioiche Aziz, Eddahmouny Mohamed, Al Kamaly Omkulthom, Shahat Abdelaaty Abdelaziz, Touijer Hanane, Hadi Nadia, Kharchouf Samira, Cherrat Ali, Fadili Kamal, El Ouadni Hajar, Bari Amina, Zair Touriya
Research Team of Chemistry of Bioactive Molecules and the Environment, Laboratory of Innovative Materials and Biotechnology of Natural Resources, Faculty of Sciences, Moulay Ismaïl University, B.P. 11201 Zitoune, Meknes 50070, Morocco.
Higher Institute of Nursing Professions and Health Techniques of Fez, Regional Health Directorate Fez-Meknes, EL Ghassani Hospital, Fez 30000, Morocco.
Int J Mol Sci. 2025 May 8;26(10):4499. doi: 10.3390/ijms26104499.
This study on Mill., derived from seeds collected in Meknes (Morocco), evaluates in vitro and in silico the therapeutic potential of its extracts and essential oil through a comprehensive analysis of its phytochemical composition, as well as its antioxidant and antimicrobial activities. Aqueous extracts (E0), hydroethanolic extract (E1) obtained via Soxhlet, decoction (E2), and essential oil (EO) obtained through hydrodistillation were analyzed using HPLC/UV-ESI-MS and GC-MS, revealing a richness in phenolic and terpenic compounds. The quantification of total polyphenols, flavonoids, and tannins in aqueous and organic extracts was performed using spectrophotometric methods. Antioxidant activity was assessed through three methods: DPPH, FRAP, and Total Antioxidant Capacity (TAC). The antimicrobial activity of the essential oil and decoction was evaluated by microdilution in microplate assays. The aqueux extract was dominated by butyl ferulate (14.33%), while hydroethanolic extract contained chlorogenic acid (14.79%) and quercetin-3-glucuronide (13%). The extract (E) was characterized by dihydrocaffeic acid (11.25%) and 3-O-caffeoylshikimic acid (11.08%), whereas the EO was primarily composed of fenchone (24.72%), trans-anethole (22.22%), and limonene (20.48%). Antioxidant assays (DPPH/FRAP/TAC) demonstrated decreasing efficacy as follows: EO exhibited the highest efficiency (IC = 51.45 μg/mL), followed by E (93.71 μg/mL), E (212.86 μg/mL), and E (397.41 μg/mL), confirming a correlation between phenolic composition and antioxidant activity. Furthermore, antimicrobial tests highlighted a pronounced fungicidal effect against (MIC = 3.13 mg/mL) and (6.25 mg/mL), contrasting with a more moderate inhibition of and . Molecular docking simulations identified stable interactions between chlorogenic acid, quercetin-3-glucuronide, and microbial proteases, suggesting a synergistic inhibitory mechanism. This research validates the potential of as a source of bioactive molecules with promising applications in phytotherapy for managing oxidative stress and fungal infections, while emphasizing the need for clinical studies to confirm these effects in vivo.
本研究以采自摩洛哥梅克内斯的种子培育出的植物为对象，通过对其植物化学成分、抗氧化和抗菌活性的全面分析，在体外和计算机模拟方面评估了其提取物和精油的治疗潜力。采用HPLC/UV-ESI-MS和GC-MS对水提取物（E0）、经索氏提取法获得的水乙醇提取物（E1）、煎剂（E2）以及经水蒸馏法获得的精油（EO）进行分析，结果显示其富含酚类和萜类化合物。采用分光光度法对水提取物和有机提取物中的总多酚、黄酮类化合物和单宁进行定量分析。通过三种方法评估抗氧化活性：DPPH法、FRAP法和总抗氧化能力（TAC）法。通过微孔板法中的微量稀释法评估精油和煎剂的抗菌活性。水提取物中以阿魏酸丁酯（14.33%）为主，而水乙醇提取物中含有绿原酸（14.79%）和槲皮素-3-葡萄糖醛酸苷（13%）。提取物（E）的特征成分是二氢咖啡酸（11.25%）和3-O-咖啡酰莽草酸（11.08%），而精油主要由小茴香酮（24.72%）、反式茴香脑（22.22%）和柠檬烯（20.48%）组成。抗氧化试验（DPPH/FRAP/TAC）表明其效果递减如下：精油表现出最高效率（IC = 51.45 μg/mL），其次是提取物（E）（93.71 μg/mL）、提取物（E）（212.86 μg/mL）和提取物（E）（397.41 μg/mL），证实了酚类成分与抗氧化活性之间的相关性。此外，抗菌试验突出显示了对某菌（MIC = 3.13 mg/mL）和另一菌（6.25 mg/mL）有显著的杀菌作用，相比之下，对其他两种菌的抑制作用较为温和。分子对接模拟确定了绿原酸、槲皮素-3-葡萄糖醛酸苷与微生物蛋白酶之间的稳定相互作用，提示存在协同抑制机制。本研究验证了该植物作为生物活性分子来源的潜力，在植物疗法中对管理氧化应激和真菌感染具有广阔应用前景，同时强调需要进行临床研究以在体内证实这些效果。
需注意，原文中部分提取物表述未明确完整，翻译时保留了原文形式。
