Integrated computational analysis of molecular mechanisms underlying perfluorooctane sulfonic acid induced thyroid toxicity

Authors: Haoran Li, Bo Yu, Ye Yuan, Nannan Chen, Huicai Guo, Haiqiang Zhang, Zhiqing Zhang

Source: Scientific Reports, Vol 15, Iss 1, Pp 1-16 (2025)

Subject Terms: Perfluorooctane sulfonic acid, Thyroid toxicity, Network toxicology, Molecular Docking, Molecular dynamics simulation, Medicine, Science

File Description: electronic resource

Relation: https://doaj.org/toc/2045-2322

Access URL: https://doaj.org/article/ab375a9db8284b79a96bafc503012970

Network toxicology and its application in studying exogenous chemical toxicity

Authors: Yanli LIN, Zehua TAO, Zhao XIAO, Chenxu HU, Bobo YANG, Ya WANG, Rongzhu LU

Source: 环境与职业医学, Vol 42, Iss 2, Pp 238-244 (2025)

Subject Terms: network toxicology, exogenous chemical, data mining, toxicity prediction, toxicity mechanism, Medicine (General), R5-920, Toxicology. Poisons, RA1190-1270

File Description: electronic resource

Relation: http://www.jeom.org/article/cn/10.11836/JEOM24348; https://doaj.org/toc/2095-9982

Access URL: https://doaj.org/article/155f59ac39724c6cb8b0a787bb9030dc

An integrative analysis reveals cancer risk associated with artificial sweeteners

Authors: Jumin Xie, Ying Zhu, Zixuan Yang, Zhang Yu, Mingzhi Yang, Qingzhi Wang

Source: Journal of Translational Medicine, Vol 23, Iss 1, Pp 1-31 (2025)

Subject Terms: Artificial sweetener, Cancer, Core targets, Molecular dynamics simulation, Machine learning, Network toxicology, Medicine

File Description: electronic resource

Relation: https://doaj.org/toc/1479-5876

Access URL: https://doaj.org/article/834f0f797e76470cbdcfcb1b688f7c74

A network toxicology and machine learning approach to investigate the mechanism of kidney injury from melamine and cyanuric acid co-exposure

Authors: Zhan Wang, Zhaokai Zhou, Zihao Zhao, Junjie Zhang, Shengli Zhang, Luping Li, Yingzhong Fan, Qi Li

Source: Ecotoxicology and Environmental Safety, Vol 293, Iss , Pp 118029- (2025)

Subject Terms: Melamine, Cyanuric acid, Kidney injury, Network toxicology, Bioinformatics, Machine learning, Environmental pollution, TD172-193.5, Environmental sciences, GE1-350

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S0147651325003653; https://doaj.org/toc/0147-6513

Access URL: https://doaj.org/article/243eb42049b341e981ea6cb4606d1b9f

Efficient evaluation of osteotoxicity and mechanisms of endocrine disrupting chemicals using network toxicology and molecular docking approaches: triclosan as a model compound

Authors: Zhongyuan Wang, Jian Wang, Qiang Fu, Hui Zhao, Zaijun Wang, Yuzhong Gao

Source: Ecotoxicology and Environmental Safety, Vol 293, Iss , Pp 118030- (2025)

Subject Terms: Triclosan, Network toxicology, Postmenopausal osteoporosis, Molecular docking, Environmental pollution, TD172-193.5, Environmental sciences, GE1-350

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S0147651325003665; https://doaj.org/toc/0147-6513

Access URL: https://doaj.org/article/cdb1ff4b002b48a4a4b853971fe21d19

The impact of phthalates on asthma and chronic obstructive pulmonary disease: a comprehensive analysis based on network toxicology and molecular docking

Authors: Ren Li, Bingqing Zheng, Yuqiong Zhang, Lu He, Chaomin Ren, Linlin Guan, Huan Yang, Jiayu Tian, Xingyi Chen, Dongxing Shi, Lifang Zhao, Zhihong Zhang

Source: Frontiers in Pharmacology, Vol 16 (2025)

Subject Terms: phthalates, asthma, COPD, network toxicology, molecular docking, Therapeutics. Pharmacology, RM1-950

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fphar.2025.1566965/full; https://doaj.org/toc/1663-9812

Access URL: https://doaj.org/article/50b31b04ee2b4596bb8ca4180de2044a

Exposure to urinary polycyclic aromatic hydrocarbon metabolites for the effect of lung function among children and adolescents: Epidemiological study and mechanism exploration

Authors: Bin Liu, Xue Zhao, Hongqi He, Linwei Zhou, Yuhan Fan, Xu Chai, Xin Xu, Xinjie Gong, Shuli An, Xiaodong Ling, Xia Chu

Source: Ecotoxicology and Environmental Safety, Vol 292, Iss , Pp 117990- (2025)

Subject Terms: Lung function, Polycyclic aromatic hydrocarbon, Combined effect, Children and adolescents, Network toxicology, Molecular docking, Environmental pollution, TD172-193.5, Environmental sciences, GE1-350

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S0147651325003264; https://doaj.org/toc/0147-6513

Access URL: https://doaj.org/article/436482c347534f01ac3ddc8c42452289

Air pollution and prostate cancer: Unraveling the connection through network toxicology and machine learning

Authors: Yuqi Li, Tao Zhou, Zhiyu Liu, Xinyao Zhu, Qilong Wu, Chunyang Meng, Qingfu Deng

Source: Ecotoxicology and Environmental Safety, Vol 292, Iss , Pp 117966- (2025)

Subject Terms: Air pollutant, Prostate cancer, Network toxicology, Machine learning, Molecular Docking, Environmental pollution, TD172-193.5, Environmental sciences, GE1-350

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S0147651325003021; https://doaj.org/toc/0147-6513

Access URL: https://doaj.org/article/d33513e9e1f04cc4bc5f83b6e5269d8f

Exploring the mechanism of PPCPs on human metabolic diseases based on network toxicology and molecular docking

Authors: Menghang Cheng, Mengnan Li, Yunmei Zhang, Xuyang Gu, Wenshan Gao, Shuling Zhang, Jianfeng Liu

Source: Environment International, Vol 196, Iss , Pp 109324- (2025)

Subject Terms: PPCPs, Alzheimer disease, Network Toxicology, AlphaFold 3, Molecular Docking, Environmental sciences, GE1-350

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S0160412025000753; https://doaj.org/toc/0160-4120

Access URL: https://doaj.org/article/90ad72bd462d49f8bbe095c4923522ca

Deciphering CSU pathogenesis: Network toxicologyand molecular dynamics of DOTP exposure

Authors: Fang Cao, Cui Guo, Jing Guo

Source: Ecotoxicology and Environmental Safety, Vol 291, Iss , Pp 117864- (2025)

Subject Terms: Network toxicology, Contaminant, CSU, Molecular docking, Molecular dynamics simulation, Environmental pollution, TD172-193.5, Environmental sciences, GE1-350

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S0147651325002003; https://doaj.org/toc/0147-6513

Access URL: https://doaj.org/article/1476ec73c92e401abedbe37301db93f3

Effect of Acetyl tributyl citrate on bone metabolism based on network toxicology and molecular docking technology

Authors: Xuan Lin, Kun Lin, Yue Lai, Qingping Peng, Miao Xu, Yiting Xu, Jialin Yang, Huan Liu, Jianlin Shen

Source: Ecotoxicology and Environmental Safety, Vol 289, Iss , Pp 117434- (2025)

Subject Terms: ATBC, Network toxicology, Molecular docking, Bone metabolism, Environmental pollution, TD172-193.5, Environmental sciences, GE1-350

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S0147651324015100; https://doaj.org/toc/0147-6513

Access URL: https://doaj.org/article/3f3e1927ce7647b0be3c5fe0ecaa04e3

Integration of network toxicology and transcriptomics reveals the novel neurotoxic mechanisms of 2, 2′, 4, 4′-tetrabromodiphenyl ether

Authors: Qu, Tengjiao ^{a, 1}, Sun, Qian ^{a, b, 1}, Tan, Bo ^a, Wei, Hao ^a, Qiu, Xiaoxuan ^a, Xu, Xiaojie ^a, Gao, Hui ^{c, ⁎}, Zhang, Shun ^{a, ⁎}

Source: In Journal of Hazardous Materials 15 March 2025 486

Application and development trends of network toxicology in the safety assessment of traditional Chinese medicine

Authors: Li, Xiaoyan, Lin, Lishan, Pang, Li, Pu, Ke, Fu, Jiayue, Shen, Yushan, Zhang, Wenjing, Xu, Huiyun ^⁎⁎, Niu, Yinbo ^⁎

Source: In Journal of Ethnopharmacology 13 March 2025 343

Evaluation of the causal effects of perfluorooctanesulfonate on COVID-19 and its associated mechanisms: Integrated Mendelian randomization and network toxicology analyses

Authors: Tao, Wenting ^a, Chen, Liang ^{b, ⁎}

Source: In Toxicology Letters March 2025 405:1-8

Integrated bioinformatics and multi-omics to investigate the mechanism of Rhododendron molle Flos-induced hepatotoxicity

Authors: Ran, Qiang ^{a, 1}, Huang, Mengjun ^{b, 1}, Wang, Lijuan ^c, Li, Yanyan ^d, Wu, Wenhui ^e, Liu, Xia ^d, Chen, Juan ^e, Yang, Min ^e, Han, Keqing ^{f, ⁎⁎}, Guo, Xiaohong ^{e, ⁎}

Source: In Journal of Ethnopharmacology 11 February 2025 341

Exploring potential targets and mechanisms of renal tissue damage caused by N-(1,3-dimethylbutyl)-N′-phenyl-p-phenylenediamine quinone (6-PPDQ) through network toxicology and animal experiments: A case of chronic kidney disease

Authors: Pei, Jun ¹, Peng, Jinpu ¹, Wu, Moudong, Zhan, Xiong, Wang, Dan, Zhu, Guohua, Wang, Wei, An, Nini ^⁎, Pan, Xingyu ^⁎

Source: In Science of the Total Environment 10 February 2025 964

Effective analysis of thyroid toxicity and mechanisms of acetyltributyl citrate using network toxicology, molecular docking, and machine learning strategies

Authors: Lan, Yujian ^{a, b, 1}, Peng, Qingping ^{a, b, 1}, Fu, Bowen ^{c, d, e, ⁎}, Liu, Huan ^{b, ⁎⁎}

Source: In Toxicology February 2025 511

Auramine O, food dye induces cognitive impairment, anxiety, alters synaptic transmission and neural growth in zebrafish model

Authors: Ramamurthy, Karthikeyan ¹, Dharshan, Santhanam Sanjai ¹, Ashok, Kumar ¹, Rajagopal, Rajakrishnan ², Alfarhan, Ahmed ², Choi, Ki Choon ³, Guru, Ajay ^{4, ⁎}, Arockiaraj, Jesu ^{1, ⁎}

Source: In Journal of Environmental Sciences February 2025

Assessing the toxicological impact of PET-MPs exposure on IVDD: Insights from network toxicology and molecular docking

Authors: Zhang, Yizhi ^{a, b, c, d}, Yang, Yong ^{a, d}, Sun, Yong ^{a, b, d}, Wei, Ziyan ^{a, b, d}, Wang, Dongxin ^{a, b, d}, Chen, Shijie ^{a, b, d}, Yang, Fengguang ^{a, b, d}, Wang, JinQing ^{c, ⁎⁎}, Kang, Xuewen ^{a, b, d, ⁎}

Source: In Journal of Environmental Management January 2025 373

Analyzing the potential targets and mechanisms of chronic kidney disease induced by common synthetic Endocrine Disrupting Compounds (EDCs) in Chinese surface water environment using network toxicology and molecular docking techniques

Authors: Pei, Jun ^⁎, Peng, Jinpu, Wu, Moudong, Zhan, Xiong, Wang, Dan, Zhu, Guohua, Wang, Wei, An, Nini, Pan, Xingyu ^⁎

Source: In Science of the Total Environment 1 January 2025 958