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树脂甲醇提取物的代谢物谱分析、体外、体内、计算药代动力学及生物学预测

Metabolites Profiling, In Vitro, In Vivo, Computational Pharmacokinetics and Biological Predictions of Resins Methanolic Extract.

作者信息

Suliman Rasha Saad, Alghamdi Sahar Saleh, Ali Rizwan, Aljatli Dimah A, Huwaizi Sarah, Suliman Rania, Albadrani Ghadeer M, Tolayyan Abdulellah Al, Alghanem Bandar

机构信息

College of Pharmacy, King Saud bin Abdulaziz University for Health Sciences, Riyadh 14611, Saudi Arabia.

Medical Research Core Facility and Platforms, King Abdullah International Medical Research Center (KAIMRC), Ministry of National Guard Health Affairs, Riyadh 11481, Saudi Arabia.

出版信息

Plants (Basel). 2021 May 30;10(6):1106. doi: 10.3390/plants10061106.

Abstract

is a traditional herb that has various biological and pharmacological properties such as anti-inflammatory, laxative, antiviral, antidiabetic, and antitumor effects, which have not been deliberated before. The current investigation aims to evaluate cytotoxicity against several cancer cell lines in addition to in vivo anti-inflammatory activities of extract using a rat animal model. Moreover, the pharmacokinetic properties of bioactive constituents and possible biological targets were assessed and evaluated. The methanolic extract of was prepared by maceration, to tentatively identify the biomolecules of the extract, analytical LC-QTOF-MS method was employed for methanolic extract. The cytotoxic activity was examined in six cancer cell lines using Titer-Glo assay and the IC were calculated in addition to in silico target predictions and in vivo anti-inflammatory activity assessment. Subsequently, the pharmacokinetics of the identified active components of were predicted using SwissADME, and target prediction using the Molinspiration webserver. The cytotoxic activity on HL60 and MDA-MB-231 was moderately affected by the extract with IC of 63.81, and 89.85 μg/ml, respectively, with no activity on other cells lines. Moreover, the extract exhibited a significant increase in wound contraction, hair growth, and complete re-epithelization when compared with the negative control. The pharmacokinetic properties of the bioactive constituents suggested a good pharmaceutical profile for the active compounds and nuclear receptors and enzymes were the two main possible targets for these active compounds. Our results demonstrated the promising activity of extract with cytotoxic and anti-inflammatory properties, indicating a potential therapeutic utility of this plant in various disease conditions.

摘要

是一种传统草药,具有多种生物学和药理学特性,如抗炎、通便、抗病毒、抗糖尿病和抗肿瘤作用,这些作用以前尚未被探讨过。当前的研究旨在评估其对几种癌细胞系的细胞毒性,以及使用大鼠动物模型评估提取物的体内抗炎活性。此外,还评估了生物活性成分的药代动力学特性和可能的生物学靶点。通过浸渍法制备了该植物的甲醇提取物,为初步鉴定提取物中的生物分子,采用分析型液相色谱-四极杆飞行时间质谱法对甲醇提取物进行分析。使用Titer-Glo测定法检测了六种癌细胞系中的细胞毒性活性,并计算了半数抑制浓度(IC),此外还进行了计算机模拟靶点预测和体内抗炎活性评估。随后,使用SwissADME预测了该植物已鉴定活性成分的药代动力学,并使用Molinspiration网络服务器进行靶点预测。该植物提取物对HL60和MDA-MB-231的细胞毒性活性受到中度影响,其IC分别为63.81和89.85μg/ml,对其他细胞系无活性。此外,与阴性对照相比,该植物提取物在伤口收缩、毛发生长和完全上皮再形成方面表现出显著增加。生物活性成分的药代动力学特性表明活性化合物具有良好的药学特性,核受体和酶是这些活性化合物的两个主要可能靶点。我们的结果证明了该植物提取物具有有前景的细胞毒性和抗炎活性,表明这种植物在各种疾病状况下具有潜在的治疗用途。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a0f/8227737/89840ac5c390/plants-10-01106-g001.jpg

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