从木耳根部提取的脱氢木耳内酯。唐博士):抗乳腺癌活性的定量测定和计算机研究

IF 0.7 Q4 PLANT SCIENCES Plant Science Today Pub Date : 2023-10-01 DOI:10.14719/pst.2344
Fekade Beshah Tessema, Yilma Hunde Gonfa, Tilahun Belayneh Asfaw, Mesfin Getachew Tadesse, Archana Joshi Bachheti, Abdel Nasser Singab, Rakesh Kumar Bachheti
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引用次数: 0

摘要

在该属植物中发现了许多生物活性,特别是对其同属植物的研究。这些包括抗氧化、抗炎、抗糖尿病、抗菌、血液净化作用和抗癌活性。本研究定量测定了牛膝根中脱氢木香内酯(DHCL)的含量,并对其抗乳腺癌活性进行了实验研究。采用Camag高效液相色谱法测定脱氢木香内酯的薄层密度。选择雌激素受体α (ER?)蛋白(PDB ID: 3ERT)参与乳腺癌细胞内的细胞增殖。他莫昔芬是激素治疗中常用的参比药物,以DHCL作为配体。在PyRx v.0.8中使用AutoDock Vina进行分子对接,以获得形成预期受体-配体复合物的最佳构象位。对接结果二维可视化使用LigPlot v.1.4.5软件,三维交互式可视化使用Biovia Discovery Studio软件。到目前为止,还没有报道在合家欢根中存在DHCL。采用薄层色谱-密度法测定三合藤根中DHCL含量为16.5±0.25 mg/g。通过分子对接研究,发现DHCL在乳腺细胞中是一种很有前景的雌激素受体相互作用抑制剂,可以选择DHCL进行进一步的体内研究,开发抗乳腺癌药物。
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Dehydrocostus lactone from the root of Ajuga integrifolia (Buch.-Ham. Ex D. Don): Quantitative determination and in- silico study for anti-breast cancer activity
Many biological activities were reported for the Ajuga species, specifically for Ajuga integrifolia and its synonyms. These include antioxidant, anti-inflammatory, antidiabetic, antibacterial, blood purifier effects, and anticancer activity. This study quantitatively determines dehydrocostus lactone (DHCL) from the root of Ajuga integrifolia and its in silico study for anti-breast cancer activity. Camag HPTLC was used for TLC – densitometric estimation of dehydrocostus lactone. Estrogen receptor alpha (ER?) protein (PDB ID: 3ERT) was selected for its involvement in cell proliferation within the breast cancer cell. Tamoxifen is a reference drug commonly used in hormonal therapy, and DHCL was used as a ligand. Molecular docking was performed using AutoDock Vina in PyRx v.0.8 to get the bestconformational pose for forming the expected receptor-ligand complex. The docking result visualization was performed using LigPlot v.1.4.5 software for 2D, and the interactive visualization in 3D was done using Biovia Discovery Studio software. The presence of DHCL in the root of A. integrifolia was not reported so far. DHCL content in the root of A. integrifolia was estimated to be 16.5 ± 0.25 mg/g of crude extract using the TLC- densitometric method. From the molecular docking study, DHCL was found to be a promising inhibitor for estrogen receptor interaction in the breast cell and can be selected for further in vivo research to develop an anti-breast cancer drug.
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来源期刊
Plant Science Today
Plant Science Today PLANT SCIENCES-
CiteScore
1.50
自引率
11.10%
发文量
177
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