蒙顶草根的分子对接、植物化学筛选及抗高血脂作用评价。

IF 2.5 4区 生物学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY
Shahzadi Bano, Jamal Akhtar Ansari, Farogh Ahsan, Abdul Rahman Khan
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引用次数: 0

摘要

以甘油三酯和胆固醇升高为标志的高脂血症与退化性疾病有关,这些疾病往往因自由基而恶化。Balliospermum monmonum根富含黄酮类化合物和酚类化合物,具有抗氧化特性,但其抗高脂血症的潜力尚未得到充分开发。本研究旨在提取、分离和分析白刺根的植物化学成分,评估其对接、抗氧化和抗高脂血症活性。用96%甲醇提取,用正己烷、乙酸乙酯、氯仿、甲醇进行液液分馏。对甲醇提取物进行了植物化学筛选和抗氧化试验,并通过硅对接评估关键化合物与目标酶的结合相互作用。对接结果显示,Baliospermin和montanin分别对HMG-CoA还原酶和脂肪酶具有最高的结合亲和力。甲醇萃取得率为13.87%,其中甲醇萃取得率最高(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。乙酸乙酯部位IC50值最低,抗氧化活性最强,抗高血脂潜能最强。本研究强调了白刺根的植物化学成分,并强调了其组分的重要对接、抗氧化和抗高脂血症特性,支持其潜在的治疗用途。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Molecular Docking, Phytochemical Screening and Evaluation of Balliospermum montanum Roots for its Antihyperlipidemic Potential.

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 IC50 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.

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来源期刊
Cell Biochemistry and Biophysics
Cell Biochemistry and Biophysics 生物-生化与分子生物学
CiteScore
4.40
自引率
0.00%
发文量
72
审稿时长
7.5 months
期刊介绍: Cell Biochemistry and Biophysics (CBB) aims to publish papers on the nature of the biochemical and biophysical mechanisms underlying the structure, control and function of cellular systems The reports should be within the framework of modern biochemistry and chemistry, biophysics and cell physiology, physics and engineering, molecular and structural biology. The relationship between molecular structure and function under investigation is emphasized. Examples of subject areas that CBB publishes are: · biochemical and biophysical aspects of cell structure and function; · interactions of cells and their molecular/macromolecular constituents; · innovative developments in genetic and biomolecular engineering; · computer-based analysis of tissues, cells, cell networks, organelles, and molecular/macromolecular assemblies; · photometric, spectroscopic, microscopic, mechanical, and electrical methodologies/techniques in analytical cytology, cytometry and innovative instrument design For articles that focus on computational aspects, authors should be clear about which docking and molecular dynamics algorithms or software packages are being used as well as details on the system parameterization, simulations conditions etc. In addition, docking calculations (virtual screening, QSAR, etc.) should be validated either by experimental studies or one or more reliable theoretical cross-validation methods.
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