Exploring the Therapeutic Potential of Oxo berberine Compound in Arcangelisia flava Root Extract for Breast Cancer Treatment: Metabolite Profiling, Pharmacological Network Analysis, and In Silico and In Vitro Evaluation.

Q2 Medicine

Asian Pacific Journal of Cancer Prevention Pub Date : 2025-04-01 DOI:10.31557/APJCP.2025.26.4.1313

Roihatul Mutiah, Syayida Roisatus Zahiro, Torikhotul Jauharotun Nafisah, Rahmi Annisa, Arief Suryadinata, Alif Firman Firdausy, Sukardiman Sukardiman

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引用次数: 0

Abstract

Objective: Chemotherapy treatments for breast cancer often entail side effects and drug resistance. Arcangelisia flava root extract (AFRE) shows potential as an anti-cancer agent, but understanding its compounds and mechanisms against breast cancer remains limited. This study aims to identify potential compounds in AFRE and shed light on its actions against breast cancer.

Methods: Compounds in AFRE were identified via LC-MS/MS. ADMET software evaluated absorption and bioavailability. Molecular anti-cancer mechanisms were predicted using network pharmacology with tools like Cytoscape, GeneCards, Disgenet, STRING, GO, KEGG pathways, and SRplot. Interaction between oxo berberine and key breast cancer receptors was analyzed through molecular docking with PyRx Autodock Vina and Biovia Discovery Studio. Cytotoxicity was assessed using the MTT method on T47D cells, and flow cytometry evaluated the potential to inhibit the cell cycle and induce apoptosis.

Result: A total of 16 active compounds were identified through LC-MS/MS, with oxo berberine being the most abundant at 41.43%. Importantly, it exhibited anti-cancer properties by interacting with 84 genes and affecting 13 signaling pathways related to breast cancer. We found that oxo berberine had a stronger negative binding affinity with PI3KCA, TP53, BCL2, CDK1, EGFR, and MAPK14 than the native ligand, which was supported by molecular docking results. In vitro validation supported these results even more, showing that AFRE treatment caused more T47D cells to die (36.6%) than the control and doxorubicin, as well as more cells to gather in the G1 phase.

Conclusion: In summary, this evidence highlights the potent anti-cancer effects of oxo berberine in AFRE against breast cancer.

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探索黄芷根提取物中含氧小檗碱化合物治疗乳腺癌的潜力：代谢物谱、药理网络分析、计算机和体外评价。

目的：乳腺癌的化疗往往有副作用和耐药。白芷黄根提取物（AFRE）作为一种潜在的抗癌药物，但对其化合物和抗乳腺癌机制的了解仍然有限。本研究旨在确定AFRE中的潜在化合物，并阐明其对乳腺癌的作用。方法：采用LC-MS/MS对AFRE中的化合物进行鉴定。ADMET软件评估吸收和生物利用度。使用网络药理学工具，如Cytoscape、GeneCards、Disgenet、STRING、GO、KEGG通路和SRplot，预测分子抗癌机制。通过与PyRx Autodock Vina和Biovia Discovery Studio的分子对接，分析氧小檗碱与乳腺癌关键受体的相互作用。采用MTT法评估T47D细胞的细胞毒性，流式细胞术评估其抑制细胞周期和诱导细胞凋亡的潜力。结果：通过LC-MS/MS共鉴定出16种有效成分，其中含氧小檗碱最多，含量为41.43%。重要的是，它通过与84个基因相互作用并影响与乳腺癌相关的13个信号通路而表现出抗癌特性。我们发现氧合小檗碱与PI3KCA、TP53、BCL2、CDK1、EGFR和MAPK14的负结合亲和力比天然配体更强，这得到了分子对接结果的支持。体外验证更加支持这些结果，表明AFRE处理导致更多的T47D细胞死亡（36.6%），并且在G1期聚集更多的细胞。结论：总之，这一证据强调了氧小檗碱在AFRE中对乳腺癌的有效抗癌作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Asian Pacific Journal of Cancer Prevention 医学-肿瘤学

CiteScore

2.80

自引率

0.00%

发文量

779

审稿时长

3 months

期刊介绍： Cancer is a very complex disease. While many aspects of carcinoge-nesis and oncogenesis are known, cancer control and prevention at the community level is however still in its infancy. Much more work needs to be done and many more steps need to be taken before effective strategies are developed. The multidisciplinary approaches and efforts to understand and control cancer in an effective and efficient manner, require highly trained scientists in all branches of the cancer sciences, from cellular and molecular aspects to patient care and palliation. The Asia Pacific Organization for Cancer Prevention (APOCP) and its official publication, the Asia Pacific Journal of Cancer Prevention (APJCP), have served the community of cancer scientists very well and intends to continue to serve in this capacity to the best of its abilities. One of the objectives of the APOCP is to provide all relevant and current scientific information on the whole spectrum of cancer sciences. They aim to do this by providing a forum for communication and propagation of original and innovative research findings that have relevance to understanding the etiology, progression, treatment, and survival of patients, through their journal. The APJCP with its distinguished, diverse, and Asia-wide team of editors, reviewers, and readers, ensure the highest standards of research communication within the cancer sciences community across Asia as well as globally. The APJCP publishes original research results under the following categories: -Epidemiology, detection and screening. -Cellular research and bio-markers. -Identification of bio-targets and agents with novel mechanisms of action. -Optimal clinical use of existing anti-cancer agents, including combination therapies. -Radiation and surgery. -Palliative care. -Patient adherence, quality of life, satisfaction. -Health economic evaluations.