Bramki Amina, Benouchenne Djamila, Salvatore Maria Michela, Benslama Ouided, Andolfi Anna, Rahim Noureddine, Moussaoui Mohamed, Ramoul Sourore, Nessah Sirine, Barboucha Ghozlane, Bensouici Chawki, Cimmino Alessio, Zorrilla Jesùs Garcìa, Masi Marco
Laboratory of BioEngineering, Higher National School of Biotechnology Taoufik Khaznadar, Nouveau Pôle Universitaire Ali Mendjeli, BP. E66, Constantine 25100, Algeria.
Higher National School of Biotechnology Taoufik Khaznadar, Nouveau Pôle Universitaire Ali Mendjeli, BP. E66, Constantine 25100, Algeria.
Plants (Basel). 2024 Dec 6;13(23):3425. doi: 10.3390/plants13233425.
This investigation aimed to assess the in vitro and in silico biological properties of the ethyl acetate (EtOAc) extract obtained from leaves of Schott collected in Algeria. The phytochemical screening data disclosed that flavonoids, tannins, coumarins, saponins, and anthocyanins were abundant. High levels of total phenolics, total flavonoids and flavonols (523.25 ± 3.53 µg GAE/mg, 20.41 ± 1.80, and 9.62 ± 0.51 µg QE/mg respectively) were detected. Furthermore, GC-MS analysis was performed to identify low molecular weight compounds. d-(-)-Fructofuranose, gallic acid, caffeic acid, and catechin were detected as main metabolites of the EtOAc extract. The outcomes revealed that the extract exerted a potent antioxidant apt, and ensured significant bacterial growth inhibitory capacity, where the inhibition zone diameters ranged from 20.0 ± 0.5 to 24.5 ± 0.3 mm. These outcomes were confirmed through molecular docking against key bacterial enzymes that revealed significant interactions and binding affinities. d-(-)-Fructofuranose was identified as the most polar and flexible compound. Gallic acid and caffeic acid demonstrated higher unsaturation. Caffeic acid was well absorbed in the blood-brain barrier (BBB) and human intestine. Catechin was well absorbed in CaCO, and can act as an inhibitor of CYP1A2. These results highlight how crucial it is to keep looking into natural substances in the quest for more potent and targeted pathology therapies.
本研究旨在评估从阿尔及利亚采集的肖特氏叶中获得的乙酸乙酯（EtOAc）提取物的体外和计算机模拟生物学特性。植物化学筛选数据显示，黄酮类化合物、单宁、香豆素、皂苷和花青素含量丰富。检测到高水平的总酚、总黄酮和黄酮醇（分别为523.25±3.53μg GAE/mg、20.41±1.80和9.62±0.51μg QE/mg）。此外，进行了气相色谱-质谱联用（GC-MS）分析以鉴定低分子量化合物。检测到d-(-)-果糖、没食子酸、咖啡酸和儿茶素是乙酸乙酯提取物的主要代谢产物。结果表明，该提取物具有强大的抗氧化能力，并具有显著的细菌生长抑制能力，抑菌圈直径范围为20.0±0.5至24.5±0.3毫米。通过与关键细菌酶的分子对接证实了这些结果，显示出显著的相互作用和结合亲和力。d-(-)-果糖被确定为最具极性和灵活性的化合物。没食子酸和咖啡酸表现出更高的不饱和度。咖啡酸在血脑屏障（BBB）和人体肠道中吸收良好。儿茶素在碳酸钙中吸收良好，可作为CYP1A2的抑制剂。这些结果凸显了在寻找更有效和有针对性的病理治疗方法的过程中，持续研究天然物质的重要性。
