Phytochemical composition, in vitro cytotoxicity and in silico ADME/Tox analysis of the active compounds of Oxalis latifolia Kunth. extracts with promising anticancer potential.

IF 2.6 4区生物学 Q3 BIOTECHNOLOGY & APPLIED MICROBIOLOGY

3 Biotech Pub Date : 2025-01-01 Epub Date: 2024-12-20 DOI:10.1007/s13205-024-04167-4

Arumugam Vignesh, Karuppasamy Dharani, Subramaniam Selvakumar, Krishnan Vasanth

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引用次数: 0

Abstract

This study investigated the anticancer phytocompounds in leaf extracts of Oxalis latifolia Kunth. Quantitative analysis of the phytochemical composition showed high levels of primary metabolites: carbohydrates (45.11 ± 2.15 GLE mg/100 mg), proteins (28.13 ± 0.94 BSA mg/100 mg), and amino acids (13.25 ± 1.16 LE mg/100 mg). Ethyl acetate extracts had the highest concentrations of secondary metabolites, including phenolic content (122.52 ± 4.27 GAE mg/100 mg), total flavonoids (91.86 ± 2.65 QE mg/100 mg), and alkaloids (82.18 ± 0.72 COLE mg/100 mg). In addition, strong antioxidant activities were observed in the DPPH^• scavenging assay (IC₅₀ 11.51 ± 2.28 µg/mL), ABTS^·+ radical cation scavenging activity (97.42 ± 7.19 µM TE/g), and FRAP assay (14.34 ± 1.24 mM Fe(II)/mg). Based on preliminary analysis, the ethyl acetate extract was fractionated using thin-layer chromatography (TLC), yielding two distinct fractions with Rf values of 0.31 and 0.76. GC-MS analysis of these fractions identified 33 bioactive compounds. These fractions exhibited anticancer activity against the A549 lung cancer cell line, with IC₅₀ values of 47.25 µg/mL and 48.31 µg/mL, as determined by the MTT assay. Furthermore, absorption, distribution, metabolism, excretion, and toxicity (ADMET) studies on 25 selected compounds indicated favorable pharmacokinetic properties and drug-likeness. In silico molecular docking showed strong binding affinities of these bioactive compounds to the p21 protein, comparable to the synthetic drug Cisplatin-quercetin. The results highlight the potential of O. latifolia in anticancer therapy, particularly through modulation of the p21 pathway, supported by in vitro cytotoxicity assessments, molecular docking, and ADMET analysis.

Supplementary information: The online version contains supplementary material available at 10.1007/s13205-024-04167-4.

查看原文本刊更多论文

草叶草（Oxalis latifolia Kunth）的植物化学成分、体外细胞毒性及ADME/Tox分析。具有抗癌潜力的提取物。

本文研究了草叶提取物的抗癌成分。植物化学成分定量分析显示，其主要代谢物含量较高：碳水化合物（45.11±2.15 GLE mg/100 mg）、蛋白质（28.13±0.94 BSA mg/100 mg）和氨基酸（13.25±1.16 LE mg/100 mg）。乙酸乙酯提取物次生代谢产物中酚类物质（122.52±4.27 GAE mg/100 mg）、总黄酮（91.86±2.65 QE mg/100 mg）、生物碱（82.18±0.72 COLE mg/100 mg）含量最高。此外，DPPH·清除率（IC50为11.51±2.28µg/mL）、ABTS·+自由基自由基清除率（IC50为97.42±7.19µM TE/g）、FRAP清除率（IC50为14.34±1.24 mM Fe(II)/mg）均具有较强的抗氧化活性。在初步分析的基础上，采用薄层色谱（TLC）对乙酸乙酯萃取物进行分离，得到两个不同的萃取物，其Rf值分别为0.31和0.76。GC-MS分析鉴定出33种生物活性化合物。MTT法测定其对A549肺癌细胞系的IC50值分别为47.25µg/mL和48.31µg/mL。此外，25种选定化合物的吸收、分布、代谢、排泄和毒性（ADMET）研究显示了良好的药代动力学性质和药物相似性。在硅分子对接中，这些生物活性化合物与p21蛋白具有很强的结合亲和力，与合成药物顺铂-槲皮素相当。通过体外细胞毒性评估、分子对接和ADMET分析，这些结果强调了荷叶在抗癌治疗中的潜力，特别是通过调节p21途径。补充资料：在线版本包含补充资料，网址为10.1007/s13205-024-04167-4。

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来源期刊

3 Biotech Agricultural and Biological Sciences-Agricultural and Biological Sciences (miscellaneous)

CiteScore

6.00

自引率

0.00%

发文量

314

期刊介绍： 3 Biotech publishes the results of the latest research related to the study and application of biotechnology to: - Medicine and Biomedical Sciences - Agriculture - The Environment The focus on these three technology sectors recognizes that complete Biotechnology applications often require a combination of techniques. 3 Biotech not only presents the latest developments in biotechnology but also addresses the problems and benefits of integrating a variety of techniques for a particular application. 3 Biotech will appeal to scientists and engineers in both academia and industry focused on the safe and efficient application of Biotechnology to Medicine, Agriculture and the Environment.