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、和植物提取物在结直肠癌中的体外抗癌活性评估及密度泛函理论分析

Evaluation and DFT Analysis of In Vitro Anticancer Activity of , , and Plant Extracts in Colorectal Cancer.

作者信息

Sönmez Gürer Eda, Tunçbilek Zuhal, Zontul Cemile, Kutlay Ahu, Kumar Amrendra, Jhaa Gaurav

机构信息

Department of Pharmacognosy, Faculty of Pharmacy, Sivas Cumhuriyet University, Sivas 58140, Türkiye.

Department of Chemistry and Chemical Processing Technologies Services, Yıldızeli Vocational School, Sivas 58140, Türkiye.

出版信息

Pharmaceuticals (Basel). 2025 Jun 22;18(7):943. doi: 10.3390/ph18070943.

DOI:10.3390/ph18070943
PMID:40732233
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12300055/
Abstract

: Colon cancer is one of the leading causes of cancer-related deaths today. Crucial research continues for the ideal chemotherapy. In this context, natural compounds of plant origin play an important role in the development of new anticancer drugs. : In this study, the effects of ethanol extract (flower parts), ethanol extract (aerial parts), and ethanol extract (aerial parts) samples on HT-29 (human colorectal adenocarcinoma cell line) and healthy CCD-18Co (human normal colon fibroblast cell line) were investigated for the first time in the literature by applying 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) test within the scope of in vitro cytotoxicity analysis. : As a result of the study, it was observed that all plant extracts were most effective at 72 h. ethanol extract (aerial parts) was found to be the most effective on the HT-29 cell line. Both the higher cell viability of in healthy cells applied to it compared to and its effectiveness on colon cancer cell lines make more advantageous. : When evaluating the efficacy of extracts on cancer cells, the load on healthy cells should be taken into account. Therefore, ethanol extract (flower parts) was found to have the potential to be a chemotherapeutic agent against colon cancer. Chemical reactivities of the dominant components of bioactive components were analyzed via Conceptual Density Functional Theory-based calculations. The power of the interactions with EGFR kinase of these compounds is checked via Molecular Docking Calculations. It was noted that Chlorogenic acid, which is the most reactive bioactive component, has a stronger binding to the mentioned enzyme.

摘要

结肠癌是当今癌症相关死亡的主要原因之一。针对理想化疗方法的关键研究仍在继续。在此背景下,植物源天然化合物在新型抗癌药物的研发中发挥着重要作用。在本研究中,通过在体外细胞毒性分析范围内应用3-(4,5-二甲基噻唑-2-基)-2,5-二苯基四氮唑溴盐(MTT)试验,首次在文献中研究了乙醇提取物(花部分)、乙醇提取物(地上部分)和乙醇提取物(地上部分)样品对HT-29(人结肠腺癌细胞系)和健康的CCD-18Co(人正常结肠成纤维细胞系)的影响。研究结果表明,所有植物提取物在72小时时效果最佳。发现乙醇提取物(地上部分)对HT-29细胞系最有效。与健康细胞相比,其在健康细胞中的细胞活力更高,且对结肠癌细胞系有效,这使得它更具优势。在评估提取物对癌细胞的疗效时,应考虑对健康细胞的负担。因此,发现乙醇提取物(花部分)有潜力成为一种抗结肠癌的化疗药物。通过基于概念密度泛函理论的计算分析了生物活性成分主要成分的化学反应性。通过分子对接计算检查了这些化合物与表皮生长因子受体(EGFR)激酶相互作用的能力。值得注意的是,反应性最强的生物活性成分绿原酸与上述酶的结合更强。

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本文引用的文献

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Plant natural compounds in the cancer treatment: A systematic bibliometric analysis.植物天然化合物在癌症治疗中的应用:一项系统的文献计量分析。
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Colorectal cancer: a comprehensive review of carcinogenesis, diagnosis, and novel strategies for classified treatments.
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