We can't find the internet
Attempting to reconnect
Something went wrong!
Hang in there while we get back on track
Reproductive Toxicity Effects of Phthalates Based on the Hypothalamic–Pituitary–Gonadal Axis: A Priority Control List Construction from Theoretical Methods
AI summary Read the abstract
Researchers used molecular docking and dynamics simulations to assess the reproductive toxicity risk of 22 phthalate esters against key proteins in the hypothalamic-pituitary-gonadal axis, producing a prioritized hazard ranking that identifies which phthalates pose the greatest endocrine disruption risk to reproductive health.
Phthalate esters (PAEs), frequently detected in various environmental media, are associated with multiple health issues, particularly reproductive toxicity. This study employed molecular docking and molecular dynamics simulations to investigate the reproductive toxicity risk of 22 PAEs on the regulation of the hypothalamic-pituitary-gonadal (HPG) axis. Analysis revealed that when the carbon number of PAEs was the same, those with branched side chains exhibited more pronounced reproductive toxicity risks. In PAE molecules with branched side chains, reproductive toxicity risk was inversely proportional to the number of carbon atoms. Furthermore, five PAE molecules with unacceptable risk (DIPRP, DMEP, DMP, DPP, and DUP) and four key indicators were proposed. Key descriptors influencing PAEs' reproductive toxicity risks were identified as Infrared and ATSC8e by machine learning analysis. Furthermore, carbonyl structure, substituent position, and electronegativity of PAE molecules are critical factors influencing PAE-induced reproductive toxicity risks via the HPG axis. This study provides a theoretical basis for further investigation of PAE-induced reproductive toxicity risk on the HPG axis, which facilitates the development of risk mitigation strategies for PAEs' reproductive toxicity and provides novel perspectives and approaches for exploring the molecular mechanisms underlying the endocrine effects of emerging contaminants such as PAEs.
More Papers Like This
Computational Insights into Reproductive Toxicity: Clustering, Mechanism Analysis, and Predictive Models
AI summary Read the abstract
Researchers evaluated polyurethane foams made from bio-derived polyester polyols under ISO 20200 composting conditions, finding that these bio-based formulations lost an average of 25.4% of their mass after 45 days — significantly outperforming conventional polyether-based polyurethanes in biodegradability, with additives like carbon black and lignin providing no acceleration benefit.
Human Endocrine-Disrupting Effects of Phthalate Esters through Adverse Outcome Pathways: A Comprehensive Mechanism Analysis
AI summary Read the abstract
Researchers used machine learning techniques to build adverse outcome pathways for understanding how phthalate esters, commonly used as plasticizers in plastics, may disrupt the human endocrine system. The study identified key molecular features and biological events that influence endocrine disruption effects, providing a framework for assessing the potential health impacts of phthalate exposure.
Computer-Aided Molecular Design Meets Network Toxicology and Molecular Docking: A Joint Strategy to Explore Common Molecular Mechanisms of Phthalates on Human Breast Cancer and Structure–Activity Relationship
AI summary Read the abstract
This study used network toxicology and molecular docking to identify shared mechanisms by which three common phthalates (DBP, BBP, DEHP) promote breast cancer, finding that all three interact with five key transcription factor-associated genes including TP53 and ESR1. Computer-aided molecular design revealed that alkyl chain length and phenyl groups are critical structural determinants of phthalate binding affinity to these cancer-relevant targets.
Phthalate exposure and risk of ovarian dysfunction in endometriosis: human and animal data
AI summary Read the abstract
Researchers explored the link between phthalate exposure and ovarian dysfunction in endometriosis patients, using both human clinical data and animal models to identify potential mechanisms by which these environmental endocrine disruptors impair reproductive function.
Advances in understanding the reproductive toxicity of endocrine-disrupting chemicals in women
AI summary Read the abstract
This review examines how endocrine-disrupting chemicals such as bisphenol A, phthalates, and triclosan may interfere with the female reproductive system. Evidence indicates that these chemicals, found widely in the environment, can disrupt hormone function and may contribute to adverse reproductive outcomes, though the precise mechanisms are still being studied.
Research digests by email
When a large batch of papers lands in the Atlas, we read through it and send a short write-up of what stood out.