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植物化学、生物活性、药代动力学和毒性预测及其对人肺癌、乳腺癌和结直肠癌细胞系的抗癌潜力。

Phytochemistry, Bioactivities, Pharmacokinetics and Toxicity Prediction of with Its Anticancer Potential against Human Lung, Breast and Colorectal Carcinoma Cell Lines.

机构信息

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

Bapalal Vaidya Botanical Research Centre, Department of Biosciences, Veer Narmad South Gujarat University, Surat 395007, India.

出版信息

Molecules. 2021 Feb 2;26(3):768. doi: 10.3390/molecules26030768.

Abstract

In this study, we investigated the bioactive potential (antibacterial and antioxidant), anticancer activity and detailed phytochemical analysis of ethanolic crude extract for the very first time using different in vitro approaches. Furthermore, computer-aided prediction of pharmacokinetic properties and safety profile of the identified phytoconstituents were also employed in order to provide some useful insights for drug discovery. , which is a rich source of potent natural bioactive compounds, showed promising antibacterial activity against the tested pathogenic bacteria (, , and ). The crude extract displayed favorable antioxidant activity against both 2,2-diphenyl-1-picrylhydrazyl (DPPH) (IC = 231.6 μg/mL) and HO (IC = 288.3 μg/mL) molecules. also showed favorable and effective anticancer activity against all three malignant cancer cells in a dose/time dependent manner. Higher activity was found against lung (A549) (IC = 341.1 μg/mL), followed by colon (HCT-116) (IC = 378.8 μg/mL) and breast (MCF-7) (IC = 428.3 μg/mL) cancer cells. High resolution-liquid chromatography-mass spectrometry (HR-LC-MS) data of crude extract revealed the presence of diverse bioactive/chemical components, including fatty acids, alcohol, sugar, flavonoids, alkaloids, terpenoids, coumarins and phenolics, which can be the basis and major cause for its bioactive potential. Therefore, achieved results from this study confirmed the efficacy of and a prospective source of naturally active biomolecules with antibacterial, antioxidant and anticancer potential. These phytocompounds alone with their favorable pharmacokinetics profile suggests good lead and efficiency of with no toxicity risks. Finally, further in vivo experimental investigations can be promoted as probable candidates for various therapeutic functions, drug discovery and development.

摘要

在这项研究中,我们首次使用不同的体外方法研究了乙醇粗提取物的生物活性潜力(抗菌和抗氧化)、抗癌活性和详细的植物化学分析。此外,还采用计算机辅助预测鉴定植物成分的药代动力学特性和安全性,为药物发现提供一些有用的见解。

作为潜在天然生物活性化合物的丰富来源,显示出对测试致病菌(金黄色葡萄球菌、大肠杆菌、铜绿假单胞菌和白色念珠菌)的有希望的抗菌活性。粗提取物对 2,2-二苯基-1-苦基肼(DPPH)(IC = 231.6 μg/mL)和 HO(IC = 288.3 μg/mL)分子均表现出良好的抗氧化活性。

还表现出对所有三种恶性癌细胞的剂量/时间依赖性的良好和有效的抗癌活性。对肺癌(A549)(IC = 341.1 μg/mL)的活性较高,其次是结肠癌(HCT-116)(IC = 378.8 μg/mL)和乳腺癌(MCF-7)(IC = 428.3 μg/mL)。 粗提取物的高分辨率液相色谱-质谱(HR-LC-MS)数据显示存在多种生物活性/化学成分,包括脂肪酸、醇、糖、类黄酮、生物碱、萜类化合物、香豆素和酚类化合物,这可能是其生物活性潜力的基础和主要原因。因此,本研究的结果证实了 的功效和具有抗菌、抗氧化和抗癌潜力的天然活性生物分子的潜在来源。这些植物化合物及其良好的药代动力学特性表明, 具有良好的先导和效率,没有毒性风险。最后,可以促进进一步的体内实验研究,作为各种治疗功能、药物发现和开发的可能候选物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ba5/7867377/a427d02c05bf/molecules-26-00768-g001.jpg

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