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Peer-reviewedCC BYSTAR Protocols

Protocol for analyzing potential targets of environmental pollutants in human diseases using network toxicology and molecular docking

  • Yanggang Hong1
  • Jiajun Li2
  • Jie Zhou3
  • Deqi Wang4
  • Feng Chen2
  • Yuze Mi4
  • Yi Wang4
4 affiliations
  1. 1The Second Affiliated Hospital and Yuying Children's Hospital of Wenzhou Medical University, Wenzhou, Zhejiang, China; Wenzhou Medical University, Wenzhou, Zhejiang, China. Electronic address: [email protected]
  2. 2The Second Affiliated Hospital and Yuying Children's Hospital of Wenzhou Medical University, Wenzhou, Zhejiang, China; Wenzhou Medical University, Wenzhou, Zhejiang, China
  3. 3School of Urban Planning and Design, Peking University Shenzhen Graduate School, Shenzhen, China
  4. 4Wenzhou Medical University, Wenzhou, Zhejiang, China
Open at sourceDOICite

Abstract

Here, we present a computational workflow for identifying and analyzing the molecular mechanisms through which environmental pollutants may contribute to human diseases. We describe steps for integrating network toxicology and molecular docking to enable systematic prediction of pollutant-target-disease relationships and structure-based plausibility assessment of molecular interactions. This protocol provides a reproducible and scalable framework applicable to diverse environmental compounds and disease models.

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Cite

BibTeXRIS
BibTeX
@article{hong2026protocol,
  title = {{Protocol for analyzing potential targets of environmental pollutants in human diseases using network toxicology and molecular docking}},
  author = {Yanggang Hong and Jiajun Li and Jie Zhou and Deqi Wang and Feng Chen and Yuze Mi and Yi Wang},
  journal = {STAR Protocols},
  year = {2026},
  month = may,
  doi = {10.1016/j.xpro.2026.104555},
  url = {https://doi.org/10.1016/j.xpro.2026.104555},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - Protocol for analyzing potential targets of environmental pollutants in human diseases using network toxicology and molecular docking
AU  - Yanggang Hong
AU  - Jiajun Li
AU  - Jie Zhou
AU  - Deqi Wang
AU  - Feng Chen
AU  - Yuze Mi
AU  - Yi Wang
PY  - 2026
DA  - 2026/05/14
JO  - STAR Protocols
DO  - 10.1016/j.xpro.2026.104555
UR  - https://doi.org/10.1016/j.xpro.2026.104555
AB  - Here, we present a computational workflow for identifying and analyzing the molecular mechanisms through which environmental pollutants may contribute to human diseases. We describe steps for integrating network toxicology and molecular docking to enable systematic prediction of pollutant-target-disease relationships and structure-based plausibility assessment of molecular interactions. This protocol provides a reproducible and scalable framework applicable to diverse environmental compounds and disease models.
SN  - 2666-1667
ER  -