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赭曲霉毒素A在前列腺癌发生发展中的潜在机制:一项结合网络毒理学、机器学习和分子对接的综合研究

The Potential Mechanisms of Ochratoxin A in Prostate Cancer Development: An Integrated Study Combining Network Toxicology, Machine Learning, and Molecular Docking.

作者信息

Cai Hong, Shen Dandan, Hu Xiangjun, Yin Hongwei, Yan Zhangren

机构信息

College of Clinical Medicine, Jiangxi University of Chinese Medicine, Wanli Campus, Nanchang 330004, China.

出版信息

Toxins (Basel). 2025 Aug 4;17(8):388. doi: 10.3390/toxins17080388.

Abstract

Ochratoxin A (OTA), a prevalent food contaminant, has been proposed as a potential contributor to the development of prostate cancer, although its precise mechanisms remain unclear. This study employed a comprehensive approach that integrated network toxicology, machine learning, and molecular docking to clarify the role of OTA in prostate cancer. The findings indicated that OTA interacts with 364 targets related to prostate cancer, and machine learning was employed to identify five key molecular targets as priorities (ESR1, TP53, TNF, INS, and EGFR). In conjunction with the results of a functional enrichment analysis, OTA was found to possibly facilitate cancer progression by disrupting endocrine function, activating oncogenic signaling pathways, reprogramming metabolism, and modulating the tumor microenvironment.

摘要

赭曲霉毒素A(OTA)是一种常见的食品污染物,尽管其确切机制尚不清楚,但已被认为是前列腺癌发生发展的一个潜在因素。本研究采用了一种综合方法,将网络毒理学、机器学习和分子对接相结合,以阐明OTA在前列腺癌中的作用。研究结果表明,OTA与364个与前列腺癌相关的靶点相互作用,并利用机器学习确定了五个关键分子靶点作为优先事项(ESR1、TP53、TNF、INS和EGFR)。结合功能富集分析结果,发现OTA可能通过破坏内分泌功能、激活致癌信号通路、重编程代谢和调节肿瘤微环境来促进癌症进展。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4e7b/12389974/f3c6a75b1997/toxins-17-00388-g001.jpg

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