Phytoconstituents and bioactivities among different parts of Ardisia humilis Vahl.: antioxidant activity and anticancer potential via in vitro and molecular docking approaches

IF 3.1 Q2 MULTIDISCIPLINARY SCIENCES

Beni-Suef University Journal of Basic and Applied Sciences Pub Date : 2026-03-07 DOI:10.1186/s43088-026-00749-8

Maya Damayanti Rahayu, Devi Permatasari, Galih Kusuma Aji, Susi Kusumaningrum, Siska Andrina Kusumastuti, Ngatinem Ngatinem, Agus Himawan, Nurhadi Nurhadi, Rudi Heryanto, Alfi Hudattul Hasanah, Agung Eru Wibowo

{"title":"Phytoconstituents and bioactivities among different parts of Ardisia humilis Vahl.: antioxidant activity and anticancer potential via in vitro and molecular docking approaches","authors":"Maya Damayanti Rahayu, Devi Permatasari, Galih Kusuma Aji, Susi Kusumaningrum, Siska Andrina Kusumastuti, Ngatinem Ngatinem, Agus Himawan, Nurhadi Nurhadi, Rudi Heryanto, Alfi Hudattul Hasanah, Agung Eru Wibowo","doi":"10.1186/s43088-026-00749-8","DOIUrl":null,"url":null,"abstract":"<div><h3>Background</h3><p><i>Ardisia humilis Vahl.</i> belongs to the genus <i>Ardisia</i>, which possesses secondary metabolites. This study investigates the phytoconstituents, antioxidant, and cytotoxic properties of different parts of Ardisia humilis Vahl.</p><h3>Methods</h3><p>Different parts (leaf, stem, seed, flower, and young fruit) of <i>Ardisia humilis Vahl.</i> were extracted using methanol and investigated for the antioxidant and cytotoxic properties in human breast cancer cells (Michigan Cancer Foundation-7/MCF-7). In addition, biochemical profiling was performed using ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry (UPLC-HRMS). Moreover, molecular docking studies on estrogen receptor alpha (Erα) (PDB ID = 6CBZ) and fatty acid synthase (FASN) (PDB ID = 4PIV) were performed.</p><h3>Results</h3><p>The leaf extract exhibited the highest antioxidant activity (IC<sub>50</sub> = 32.869 µg/mL), followed by the stem, seed, young fruit, flower, and old fruit. The highest phenolic content (155.07 mgGAE/g extract) was observed in the leaf extract. The highest total flavonoid content (TFC) was obtained from the stem extract (46.97 mgQE/g extract). A total of 38 compounds were putatively identified across all different parts of <i>Ardisia humilis Vahl.</i> via UPLC-HRMS. In addition, cytotoxicity assays on human breast cancer (MCF-7) cells demonstrated that the seed and leaf extracts significantly inhibited cancer cell proliferation by 101.74 and 92.56%, respectively, at 200 µg/mL. Molecular docking revealed that 4',4-dimethylepigallocatechingallate, predominantly found in leaf extract, had the strongest binding affinity to Erαwith a MolDock score of − 145.667 kcal/mol, surpassing the positive control 4-hydroxytamoxifen (− 116.207 kcal/mol). Meanwhile, tiliroside, also identified in the leaf, exhibited the best score docking to FASN with a MolDock score (− 172.372 kcal/mol), outperforming the known inhibitors IPI-9119 and cerulenin.</p><h3>Conclusion</h3><p>This study establishes <i>Ardisia humilis Vahl.</i> plant parts as a significant source of antioxidant and anticancer potential. Further studies are warranted to isolate, characterize, and elucidate the bioactive mechanisms through comprehensive in vitro and in vivo investigations.</p></div>","PeriodicalId":481,"journal":{"name":"Beni-Suef University Journal of Basic and Applied Sciences","volume":"15 1","pages":""},"PeriodicalIF":3.1000,"publicationDate":"2026-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1186/s43088-026-00749-8.pdf","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Beni-Suef University Journal of Basic and Applied Sciences","FirstCategoryId":"1085","ListUrlMain":"https://link.springer.com/article/10.1186/s43088-026-00749-8","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}

引用次数: 0

Abstract

Background

Ardisia humilis Vahl. belongs to the genus Ardisia, which possesses secondary metabolites. This study investigates the phytoconstituents, antioxidant, and cytotoxic properties of different parts of Ardisia humilis Vahl.

Methods

Different parts (leaf, stem, seed, flower, and young fruit) of Ardisia humilis Vahl. were extracted using methanol and investigated for the antioxidant and cytotoxic properties in human breast cancer cells (Michigan Cancer Foundation-7/MCF-7). In addition, biochemical profiling was performed using ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry (UPLC-HRMS). Moreover, molecular docking studies on estrogen receptor alpha (Erα) (PDB ID = 6CBZ) and fatty acid synthase (FASN) (PDB ID = 4PIV) were performed.

Results

The leaf extract exhibited the highest antioxidant activity (IC₅₀ = 32.869 µg/mL), followed by the stem, seed, young fruit, flower, and old fruit. The highest phenolic content (155.07 mgGAE/g extract) was observed in the leaf extract. The highest total flavonoid content (TFC) was obtained from the stem extract (46.97 mgQE/g extract). A total of 38 compounds were putatively identified across all different parts of Ardisia humilis Vahl. via UPLC-HRMS. In addition, cytotoxicity assays on human breast cancer (MCF-7) cells demonstrated that the seed and leaf extracts significantly inhibited cancer cell proliferation by 101.74 and 92.56%, respectively, at 200 µg/mL. Molecular docking revealed that 4',4-dimethylepigallocatechingallate, predominantly found in leaf extract, had the strongest binding affinity to Erαwith a MolDock score of − 145.667 kcal/mol, surpassing the positive control 4-hydroxytamoxifen (− 116.207 kcal/mol). Meanwhile, tiliroside, also identified in the leaf, exhibited the best score docking to FASN with a MolDock score (− 172.372 kcal/mol), outperforming the known inhibitors IPI-9119 and cerulenin.

Conclusion

This study establishes Ardisia humilis Vahl. plant parts as a significant source of antioxidant and anticancer potential. Further studies are warranted to isolate, characterize, and elucidate the bioactive mechanisms through comprehensive in vitro and in vivo investigations.

查看原文本刊更多论文

黄菖蒲不同部位的植物成分及生物活性。通过体外和分子对接的方法研究抗氧化活性和抗癌潜力

背景：紫菜属植物。属于紫荆属，具有次生代谢产物。本文研究了黄菖蒲（Ardisia humilis Vahl）不同部位的植物成分、抗氧化和细胞毒性。方法对紫荆不同部位（叶、茎、种子、花、幼果）进行分析。用甲醇提取并研究其在人乳腺癌细胞中的抗氧化和细胞毒性（Michigan cancer Foundation-7/MCF-7）。此外，采用超高效液相色谱-高分辨率质谱（UPLC-HRMS）进行生化分析。并对雌激素受体α (Erα) （PDB ID = 6CBZ）与脂肪酸合成酶（FASN）（PDB ID = 4PIV）进行分子对接研究。结果叶提取物的抗氧化活性最高（IC50 = 32.869µg/mL），其次为茎、种子、幼果、花和老果。叶提取物中酚类物质含量最高，为155.07 mg /g。茎部提取物总黄酮含量最高，为46.97 mgQE/g提取物。共鉴定出38种化合物，分布在黄菖蒲的不同部位。通过UPLC-HRMS。此外，对人乳腺癌（MCF-7）细胞的细胞毒性实验表明，在200µg/mL浓度下，种子和叶提取物对癌细胞增殖的抑制作用分别为101.74%和92.56%。分子对接结果表明，4′，4-二甲基lepigallocatechingallate（主要存在于叶提取物中）与er α的结合亲和力最强，MolDock评分为−145.667 kcal/mol，高于阳性对照4-羟基他莫西芬（−116.207 kcal/mol）。与此同时，在叶片中发现的tiliroside与FASN的对接得分最高，MolDock得分为−172.372 kcal/mol，优于已知的抑制剂IPI-9119和cerulenin。结论本研究建立了黄菖蒲属植物。植物部分是抗氧化和抗癌潜力的重要来源。进一步的研究需要通过全面的体外和体内研究来分离、表征和阐明其生物活性机制。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Beni-Suef University Journal of Basic and Applied Sciences MULTIDISCIPLINARY SCIENCES-

CiteScore

2.60

自引率

0.00%

发文量

期刊介绍： Beni-Suef University Journal of Basic and Applied Sciences (BJBAS) is a peer-reviewed, open-access journal. This journal welcomes submissions of original research, literature reviews, and editorials in its respected fields of fundamental science, applied science (with a particular focus on the fields of applied nanotechnology and biotechnology), medical sciences, pharmaceutical sciences, and engineering. The multidisciplinary aspects of the journal encourage global collaboration between researchers in multiple fields and provide cross-disciplinary dissemination of findings.