木质素仲异石杉醇二葡萄糖苷的体外和硅学研究

Q4 Pharmacology, Toxicology and Pharmaceutics Ankara Universitesi Eczacilik Fakultesi Dergisi Pub Date : 2023-12-08 DOI:10.33483/jfpau.1368474
İrem Bayar, Sevtap Çağlar Yavuz, Senem Akkoç
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引用次数: 0

摘要

目的:木脂素是二酚类化合物中重要的生物活性物质。二异松脂醇二葡糖苷(SDG)是已知具有抗癌特性的木脂素的重要类型。本研究旨在探讨SDG对肝癌细胞(HepG2)、结直肠癌细胞(DLD-1)、肺癌细胞(A549)和前列腺癌(PC3)细胞系的抗增殖活性。材料与方法:采用MTT法测定不同浓度SDG作用48小时或72小时后癌细胞的细胞活力。SDG的DFT(密度泛函理论)分析使用Spartan'10进行并可视化。考察了该化合物的药物相似性和吸收、分布、代谢、排泄和毒性(ADME-Tox)特性。开展分子对接,研究SDG的生物活性。结果与讨论:我们的研究结果表明,SDG仅对DLD-1细胞具有显著的细胞毒性,其IC50值为37.45µM,而对其他肿瘤细胞系在体外无活性。4UYA是MLK4激酶结构域的晶体结构,是结肠癌的生物标志物。SDG-MLK4激酶结构域的结合能值为-6.1 kcal/mol。通过体外实验和硅分子对接研究证实了其抗癌潜力。综上所述,本研究揭示了SDG对结肠癌的保护作用,表明其具有良好的抗癌活性。
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LİGNAN SEKOİZOLARİSİRESİNOL DIGLUKOSIT ÜZERİNE İN VİTRO VE İN SİLİKO ÇALIŞMALAR
Objective: Lignans are important biologically active compounds in diphenolic structure. Secoisolariciresinol diglucoside (SDG) is a significant type of lignan known to have anti-cancer properties. This study aimed to investigate the antiproliferative activity properties of SDG on hepatocellular carcinoma cells (HepG2), colorectal cancer cells (DLD-1), lung carcinoma (A549), and prostate cancer (PC3) cell lines. Material and Method: Cell viability of cancer cells was determined by the MTT method after treatment with various concentrations of SDG at 48 or 72 hours. The DFT (Density Functional Theory) analysis of the SDG was performed using Spartan'10 and visualized. Drug-likeness and absorption, distribution, metabolism, excretion, and toxicity (ADME-Tox) properties of this compound were examined. Molecular docking was carried out to research the biological activity of SDG. Result and Discussion: Our results showed that SDG exhibited significant cytotoxicity only against DLD-1 cells with IC50 value of 37.45 µM, but inactive against other cancer cell lines as in vitro. 4UYA, which biomarker for colon cancer, is the crystal structure of the MLK4 kinase domain. The binding energy value for the SDG-MLK4 kinase domain was calculated as -6.1 kcal/mol. Anticancer potential was verified by in vitro assay and in silico molecular docking study. In conclusion, this study revealed the protective aspect of SDG against colon cancer and showed that it has promising anticancer activity.
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来源期刊
Ankara Universitesi Eczacilik Fakultesi Dergisi
Ankara Universitesi Eczacilik Fakultesi Dergisi Pharmacology, Toxicology and Pharmaceutics-Pharmaceutical Science
CiteScore
0.80
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0.00%
发文量
70
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