Vignesh Arumugam, Dharani Karuppasamy, Selvakumar Subramaniam, Vasanth Krishnan
Department of Botany, NGM College (Autonomous), Pollachi, Tamil Nadu 642 001 India.
Department of Botany, Bharathiar University, Coimbatore, Tamil Nadu 641 046 India.
3 Biotech. 2025 Jan;15(1):19. doi: 10.1007/s13205-024-04167-4. Epub 2024 Dec 20.
This study investigated the anticancer phytocompounds in leaf extracts of 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 (IC 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 IC 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 in anticancer therapy, particularly through modulation of the p21 pathway, supported by in vitro cytotoxicity assessments, molecular docking, and ADMET analysis.
The online version contains supplementary material available at 10.1007/s13205-024-04167-4.
本研究调查了Kunth叶提取物中的抗癌植物化合物。植物化学成分的定量分析显示，初级代谢产物含量较高：碳水化合物（45.11±2.15 GLE毫克/100毫克）、蛋白质（28.13±0.94 BSA毫克/100毫克）和氨基酸（13.25±1.16 LE毫克/100毫克）。乙酸乙酯提取物中次生代谢产物的浓度最高，包括酚类含量（122.52±4.27 GAE毫克/100毫克）、总黄酮（91.86±2.65 QE毫克/100毫克）和生物碱（82.18±0.72 COLE毫克/100毫克）。此外，在DPPH清除试验（IC 11.51±2.28微克/毫升）、ABTS自由基阳离子清除活性（97.42±7.19微摩尔TE/克）和FRAP试验（14.34±1.24毫摩尔Fe(II)/毫克）中观察到较强的抗氧化活性。基于初步分析，使用薄层色谱（TLC）对乙酸乙酯提取物进行分馏，得到两个Rf值分别为0.31和0.76的不同馏分。对这些馏分的气相色谱-质谱分析鉴定出33种生物活性化合物。通过MTT试验测定，这些馏分对A549肺癌细胞系具有抗癌活性，IC值分别为47.25微克/毫升和48.31微克/毫升。此外，对25种选定化合物的吸收、分布、代谢、排泄和毒性（ADMET）研究表明其具有良好的药代动力学性质和类药性质。计算机模拟分子对接显示，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。结果突出了Kunth在抗癌治疗中的潜力，特别是通过调节p21途径，体外细胞毒性评估、分子对接和ADMET分析为其提供了支持。
在线版本包含可在10.1007/s132
