Exploring the toxicological effects of DOTP exposure on periodontitis by combining molecular docking and molecular dynamics simulations

Abstract This research delved into the molecular mechanism underlying dioctyl terephthalate (DOTP)-related periodontitis (PD) through the application of network toxicology, molecular docking, and molecular dynamics simulations. By leveraging data from SwissTargetPrediction, SuperPred, and GeneCards...

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Bibliographic Details
Main Authors: Junjie Wang, Qingao Deng, Lu Qi
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Online Access:https://doi.org/10.1038/s41598-025-05740-4
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