Efficient analysis of the toxicity and mechanisms of Hexaconazole and two other triazole fungicides: insights from integrated network toxicology, molecular docking and bioinformatics data DOI Creative Commons

Qing Lv,

Xinying Zhu

Research Square (Research Square), Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 29, 2024

Abstract Background: The safety of food grains is crucial for human health. Hexaconazole, Propiconazole, and Prothioconazole are widely used triazole fungicides primarily employed in agriculture the control plant diseases, aiming to enhance crop yield quality. Objective: This research aims elucidate potential toxic targets underlying molecular mechanisms brain liver damage induced by exposure three through network toxicology combined with docking bioinformatics data analysis. Method results: Toxicity analysis ADMETlab database showed that toxicity was mainly associated neurotoxicity injury. Systematically utilizing GeneCards, OMIM other databases Cytoscape tools, we identified core (including EGFR, CASP3, ESR1, PPARG, TP53, HSP90AA1, PTGS2) injury or GO KEGG enrichment analyses indicate these pathways related cancer, PI3K-Akt signaling pathway, organic cyclic compounds, nitrogen compounds. Molecular simulations conducted using AutoDock confirmed high-affinity binding interactions between key target proteins. Conclusions: study provides a theoretical foundation understanding hepatotoxicity Prothioconazole, while establishing foundational framework development prevention treatment strategies pesticide-associated injuries. Our findings underscore risks pesticides pose health, highlighting need further epidemiological clinical future.

Language: Английский

The current landscape of aromatase inhibitors for the treatment of estrogen receptor-positive breast carcinoma DOI

Khushboo Bhutani,

S. K. Vishwakarma,

Priyanka Yadav

et al.

The Journal of Steroid Biochemistry and Molecular Biology, Journal Year: 2025, Volume and Issue: 250, P. 106729 - 106729

Published: March 7, 2025

Language: Английский

Citations

0
AhR and STAT3: A Dangerous Duo in Chemical Carcinogenesis DOI Open Access
Marco Minacori, Sara Fiorini, Monia Perugini

et al.

International Journal of Molecular Sciences, Journal Year: 2025, Volume and Issue: 26(6), P. 2744 - 2744

Published: March 18, 2025

Human chemical carcinogenesis is a multistage process where chemicals or their metabolites cause irreversible changes in normal cell physiology, eventually leading to uncontrolled proliferation, transforming into cancerous one. Signal transducer and activator of transcription 3 (STAT3) cytoplasmic factor that regulates differentiation, apoptosis, angiogenesis, inflammation, immune responses. Its aberrant activation triggers tumor progression by promoting the expression oncogenic genes; thus, STAT3 classified as an oncoprotein. The aryl hydrocarbon receptor (AhR) ligand-activated responds wide variety chemicals, including carcinogens like dioxins, inducing genes associated with detoxification, regulation. Recent reports show AhR plays critical role cancer development maintenance. may interact signaling pathways, pathway, which mediates carcinogenic effects several pollutants. Various agents, such industrial waste compounds, can alter activity different types cancers. Understanding complex STAT3-AhR network regulation could open new avenues for prevention treatment, particularly personalized medicine, aiming improve life expectancy achieving complete cure.

Language: Английский

Citations

0
Efficient analysis of the toxicity and mechanisms of Hexaconazole and two other triazole fungicides: insights from integrated network toxicology, molecular docking and bioinformatics data DOI
Xingke Zhu,

Qing Lv

Genome Instability & Disease, Journal Year: 2025, Volume and Issue: unknown

Published: March 24, 2025

Language: Английский

Citations

0
Soybean meal modulates estrogen receptor expression in non gonadal tissues of layer chicken DOI Creative Commons

A Aswathy,

T. R. Sreekumar,

P. S. Megha

et al.

Research Square (Research Square), Journal Year: 2025, Volume and Issue: unknown

Published: March 26, 2025

Abstract The current study investigates the effects of soybean meal rich in phytoestrogen on estrogen receptor (ER) expression non gonadal tissues layer chickens. mRNA ERα and ERβ, liver, shell gland, oviduct, are compared between diets with or without meal. Key findings reveal that significantly increases liver enhancing estrogenic activity important for egg production. In contrast, ERβ decreases indicating tissue-specific phytoestrogens. These results suggest dietary could improve reproductive performance quality poultry. Further research is needed to assess its long-term impact health productivity.

Language: Английский

Citations

0
The Pathophysiology of Sex Differences in Stroke Risk and Prevention in Atrial Fibrillation: A Comprehensive Review DOI Creative Commons
Ibrahim Antoun, Georgia R. Layton,

Ahmed Abdel-Razik

et al.

Medicina, Journal Year: 2025, Volume and Issue: 61(4), P. 649 - 649

Published: April 1, 2025

Atrial fibrillation (AF) is the most common chronic arrhythmia and a leading cause of stroke, with well-documented differences in pathophysiology, clinical manifestations, prognosis according to sex patient. This review provides an overview known or hypothesized physiology stroke risk for patients AF. Women are reported have more extensive fibrosis left atrium, different functional properties atria, higher sensitivity prothrombotic stimuli, especially after menopause. Variations AF linked age, hypertension, diabetes, kidney disease; overall, women worse outcomes. The widely clinically implemented CHA2DS2-VASc score no longer considers as variable, its propriety still debated. However, usually under prescribed anticoagulation despite having long-term compared men, suggesting lack equity treatment certain patient groups. New AI-based stratification models precision medicine approaches potentially useful reducing these gaps. Future work should also aim improve sex-based predictive models, considering gender categories, understanding part played by hormonal alterations, atrial structural thromboembolic

Language: Английский

Citations

0
Comprehensive Analysis of Density of States (DOS), UV-Visible, NMR Spectroscopy, and Molecular Electrostatic Potential (MEP) of RU-486 and its Derivatives (Ph, KOH, NO₂, OH) in Relation to Their Effects on Breast Cancer DOI
Hanifi Kebiroglu, Fermin Ak

Yüzüncü Yıl Üniversitesi Fen Bilimleri Enstitüsü Dergisi, Journal Year: 2025, Volume and Issue: 30(1), P. 46 - 60

Published: April 28, 2025

In this study, a comprehensive analysis was conducted on RU-486 (Mifepristone) and its derivatives (Ph, KOH, NO₂, OH), focusing their potential effectiveness against breast cancer. The included Density of States (DOS) optimization, UV-Visible spectroscopy, Nuclear Magnetic Resonance (NMR) Molecular Electrostatic Potential (MEP) mapping. electronic structures stabilities these molecules were examined through DOS, revealing how different functional groups influence properties. spectroscopy identified shifts in absorption maxima, which correspond to changes transitions due functionalization. NMR provided insights into the chemical environments specific nuclei, offering detailed information molecular geometry distribution. MEP mapped electrostatic across surfaces, pinpointing regions electrophilic nucleophilic reactivity. Collectively, analyses have enhanced understanding properties, reactivity, pharmaceutical applications cancer treatment.

Language: Английский

Citations

0
Efficient analysis of the toxicity and mechanisms of Hexaconazole and two other triazole fungicides: insights from integrated network toxicology, molecular docking and bioinformatics data DOI Creative Commons

Qing Lv,

Xinying Zhu

Research Square (Research Square), Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 29, 2024

Abstract Background: The safety of food grains is crucial for human health. Hexaconazole, Propiconazole, and Prothioconazole are widely used triazole fungicides primarily employed in agriculture the control plant diseases, aiming to enhance crop yield quality. Objective: This research aims elucidate potential toxic targets underlying molecular mechanisms brain liver damage induced by exposure three through network toxicology combined with docking bioinformatics data analysis. Method results: Toxicity analysis ADMETlab database showed that toxicity was mainly associated neurotoxicity injury. Systematically utilizing GeneCards, OMIM other databases Cytoscape tools, we identified core (including EGFR, CASP3, ESR1, PPARG, TP53, HSP90AA1, PTGS2) injury or GO KEGG enrichment analyses indicate these pathways related cancer, PI3K-Akt signaling pathway, organic cyclic compounds, nitrogen compounds. Molecular simulations conducted using AutoDock confirmed high-affinity binding interactions between key target proteins. Conclusions: study provides a theoretical foundation understanding hepatotoxicity Prothioconazole, while establishing foundational framework development prevention treatment strategies pesticide-associated injuries. Our findings underscore risks pesticides pose health, highlighting need further epidemiological clinical future.

Language: Английский

Citations

0