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山地巴豆根的分子对接、植物化学筛选及其降血脂潜力评估

Molecular Docking, Phytochemical Screening and Evaluation of Balliospermum montanum Roots for its Antihyperlipidemic Potential.

作者信息

Bano Shahzadi, Ansari Jamal Akhtar, Ahsan Farogh, Khan Abdul Rahman

机构信息

Department of Chemistry, Integral University, Dasauli, Lucknow, India.

Department of Pharmacy, Integral University, Dasauli, Lucknow, India.

出版信息

Cell Biochem Biophys. 2025 Jun 13. doi: 10.1007/s12013-025-01790-7.

DOI:10.1007/s12013-025-01790-7
PMID:40506686
Abstract

Hyperlipidemia, marked by elevated triglycerides and cholesterol, is linked to degenerative diseases often worsened by free radicals. Balliospermum montanum roots, rich in flavonoids and phenolic compounds, exhibit antioxidant properties, but their antihyperlipidemic potential remains underexplored. This study aimed to extract, fractionate, and analyze the phytochemical composition of B. montanum roots, evaluating their docking, antioxidant, and antihyperlipidemic activities. Extraction was performed using 96% methanol, followed by liquid-liquid fractionation with n-hexane, ethyl acetate, chloroform, and methanol. Phytochemical screening and antioxidant assays were conducted on the methanol extract, with in-silico docking assessing binding interactions of key compounds with target enzymes. Docking revealed Baliospermin and montanin had the highest binding affinity for HMG-CoA reductase and lipase, respectively. Methanol extraction yielded 13.87%, with the methanol fraction producing the highest dried extract (39.37%). Phytochemical analysis identified flavonoids, phenolic compounds, and other bioactive constituents. The ethyl acetate fraction showed the lowest IC values, indicating the strongest antioxidant activity, and exhibited the highest antihyperlipidemic potential. This study highlights the phytochemical composition of B. montanum roots and underscores the significant docking, antioxidant, and antihyperlipidemic properties of its fractions, supporting its potential therapeutic use.

摘要

以甘油三酯和胆固醇升高为特征的高脂血症与通常因自由基而恶化的退行性疾病有关。富含黄酮类化合物和酚类化合物的山地巴豆根具有抗氧化特性,但其抗高脂血症的潜力仍未得到充分探索。本研究旨在提取、分离和分析山地巴豆根的植物化学成分,评估其对接、抗氧化和抗高脂血症活性。使用96%甲醇进行提取,然后用正己烷、乙酸乙酯、氯仿和甲醇进行液液分离。对甲醇提取物进行植物化学筛选和抗氧化测定,通过计算机对接评估关键化合物与靶酶的结合相互作用。对接结果显示,巴豆精和山地宁分别对HMG-CoA还原酶和脂肪酶具有最高的结合亲和力。甲醇提取率为13.87%,甲醇部分产生的干提取物最高(39.37%)。植物化学分析鉴定出黄酮类化合物、酚类化合物和其他生物活性成分。乙酸乙酯部分的IC值最低,表明其抗氧化活性最强,且具有最高的抗高脂血症潜力。本研究突出了山地巴豆根的植物化学成分,并强调了其各部分显著的对接、抗氧化和抗高脂血症特性,支持其潜在的治疗用途。

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