LC-MS/MS Profiling, Biological Activities and Molecular Docking Studies of Simmondsia Chinensis Leaves.

IF 2.3 3区化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Chemistry & Biodiversity Pub Date : 2024-10-17 DOI:10.1002/cbdv.202401833

Siwar Soltani, Rihab Ben Abdallah Kolsi, Noura Baccouch, Thomas Michel, Noureddine Allouche, Hichem Ben Salah

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Abstract

This study aimed to assess the biological activities of Tunisian Simmondsia chinensis and characterize their potential bioactive compounds. Different extracts of S. chinensis were tested for their antioxidant, antibacterial, anti α-amylase, and anti-acetylcholinesterase activities through in vitro assays. The methanolic extract exhibited the highest levels of antioxidant activity and total phenolic content (976.03 GAE/g extract) compared to the other extracts. Additionally, it demonstrated a substantial anti-acetylcholinesterase activity (PI= 75%) and potent antibacterial property, particularly against Enterococcus faecalis, Listeria monocytogenes, Bacillus cereus, Bacillus subtilis, and Salmonella enterica. The IC50 values of ethyl acetate and methanolic extracts against α-amylase were 42 μg/mL and 40 μg/mL, respectively, indicating potent anti-diabetic effects. HPLC-ESI-MS/MS analyses identified flavonoids and lignans as the major phenolic compounds in the methanolic extract. To better comprehend the mechanisms behind inhibitory effects on α-amylase and acetylcholinesterase enzymes, a molecular docking study was conducted. Consequently, these findings indicate that S. chinensis is a highly valuable natural resource with potential industrial applications.

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Simmondsia Chinensis 叶的 LC-MS/MS 分析、生物活性和分子对接研究。

本研究旨在评估突尼斯西蒙德木（Simmondsia chinensis）的生物活性，并鉴定其潜在的生物活性化合物。通过体外试验，测试了不同提取物的抗氧化、抗菌、抗α-淀粉酶和抗乙酰胆碱酯酶活性。与其他提取物相比，甲醇提取物的抗氧化活性和总酚含量（976.03 GAE/g）最高。此外，甲醇提取物还具有很强的抗乙酰胆碱酯酶活性（PI= 75%）和强效抗菌特性，尤其是对粪肠球菌、单核细胞增生李斯特菌、蜡样芽孢杆菌、枯草芽孢杆菌和肠炎沙门氏菌。乙酸乙酯提取物和甲醇提取物对α-淀粉酶的 IC50 值分别为 42 μg/mL 和 40 μg/mL，表明其具有很强的抗糖尿病作用。HPLC-ESI-MS/MS 分析确定甲醇提取物中的主要酚类化合物为黄酮类和木脂素类。为了更好地理解α-淀粉酶和乙酰胆碱酯酶抑制作用背后的机制，进行了分子对接研究。因此，这些研究结果表明盐肤木是一种非常有价值的自然资源，具有潜在的工业应用价值。

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来源期刊

Chemistry & Biodiversity 环境科学-化学综合

CiteScore

3.40

自引率

10.30%

发文量

475

审稿时长

2.6 months

期刊介绍： Chemistry & Biodiversity serves as a high-quality publishing forum covering a wide range of biorelevant topics for a truly international audience. This journal publishes both field-specific and interdisciplinary contributions on all aspects of biologically relevant chemistry research in the form of full-length original papers, short communications, invited reviews, and commentaries. It covers all research fields straddling the border between the chemical and biological sciences, with the ultimate goal of broadening our understanding of how nature works at a molecular level. Since 2017, Chemistry & Biodiversity is published in an online-only format.