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植物化学和计算机辅助药物代谢动力学/毒理学分析提取物的抗氧化、抗菌和抗癌潜力对 Caco-2 和 HCT-116 结肠癌细胞系。

Phytochemical and In Silico ADME/Tox Analysis of Extract with Antioxidant, Antibacterial and Anticancer Potential against Caco-2 and HCT-116 Colorectal Carcinoma Cell Lines.

机构信息

Department of Clinical Nutrition, College of Applied Medical Sciences, University of Hail, Hail P.O. Box 2440, Saudi Arabia.

Department of Biology, College of Science, University of Hail, Hail P.O. Box 2440, Saudi Arabia.

出版信息

Molecules. 2022 Feb 19;27(4):1409. doi: 10.3390/molecules27041409.

DOI:10.3390/molecules27041409
PMID:35209197
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8879427/
Abstract

Mill. () leaves recently grabbed the attention of scientific communities around the world due to its potent bioactivity. Therefore, the present study investigates the metabolite profiling of the ethanolic crude extract of leaves using high resolution-liquid chromatography-mass spectrometry (HR-LC/MS), including antibacterial, antioxidant and anticancer potential against human colorectal carcinoma cell lines. In addition, computer-aided analysis was performed for determining the pharmacokinetic properties and toxicity prediction of the identified compounds. Our results show that contains several bioactive compounds, such as vitamins, fatty acids, alkaloids, flavonoids, terpenoids and phenols. Furthermore, the antibacterial assay of extract showed inhibitory effects of the tested pathogenic bacterial strains. Moreover, the antioxidant activity of 2,2-diphenyl-1-picrylhydrazyl (DPPH) and hydrogen peroxide (HO) were found to be IC = 66.16 μg/mL and 76.05 μg/mL, respectively. also showed promising anticancer activity against both the colorectal cancer cells HCT-116 (IC = 64.91 μg/mL) and Caco-2 (IC = 83.98 μg/mL) in a dose/time dependent manner. The phytoconstituents identified showed promising pharmacokinetics properties, representing a valuable source for drug or nutraceutical development. These investigations will lead to the further exploration as well as development of -based nutraceutical products.

摘要

由于其强大的生物活性,麻叶千里光最近引起了世界各地科学界的关注。因此,本研究采用高分辨液相色谱-质谱联用(HR-LC/MS)技术对麻叶千里光的乙醇粗提物进行代谢产物分析,评估其对人结直肠癌细胞系的抗菌、抗氧化和抗癌潜力。此外,还进行了计算机辅助分析,以确定鉴定化合物的药代动力学性质和毒性预测。研究结果表明,麻叶千里光含有多种生物活性化合物,如维生素、脂肪酸、生物碱、类黄酮、萜类化合物和酚类化合物。此外,麻叶千里光提取物的抗菌试验显示对测试的病原菌菌株具有抑制作用。此外,2,2-二苯基-1-苦基肼(DPPH)和过氧化氢(HO)的抗氧化活性分别为 IC = 66.16 μg/mL 和 76.05 μg/mL。麻叶千里光对结直肠癌细胞 HCT-116(IC = 64.91 μg/mL)和 Caco-2(IC = 83.98 μg/mL)也表现出有希望的抗癌活性,呈剂量/时间依赖性。鉴定出的植物化学成分表现出良好的药代动力学特性,是开发药物或营养保健品的有价值来源。这些研究将有助于进一步探索和开发基于麻叶千里光的营养保健品。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b7a/8879427/eef81a289c3d/molecules-27-01409-g008.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b7a/8879427/832e1eb7275c/molecules-27-01409-g001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b7a/8879427/eef81a289c3d/molecules-27-01409-g008.jpg

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