Effects of triazole fungicides on androgenic disruption and CYP3A4 enzyme activity

Lv, Xuan; Pan, Liumeng; Wang, Jiaying; Lu, Liping; Yan, Weilin; Zhu, Yanye; Xu, Yiwen; Guo, Ming; Zhuang, Shulin

doi:10.1016/j.envpol.2016.11.051

Cited by 132 publications

(57 citation statements)

References 38 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…[6][7][8] Aromatase (CYP19A1) is the key enzyme responsible for estrogen biosynthesis in human body, which catalyzes the conversion of androgen to estrogen and plays a key role in maintaining the androgens and estrogens in vivo balance in many of the EDC-sensitive organs. 9 Inhibition of aromatase has become an effective strategy to combat hormone related diseases such as breast cancer.…”

Section: Introductionmentioning

confidence: 99%

In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods

Cai

Yang

et al. 2017

Chem. Res. Toxicol.

View full text Add to dashboard Cite

Environmental chemicals may affect endocrine systems through multiple mechanisms, one of which is via effects on aromatase (also known as CYP19A1), an enzyme critical for maintaining the normal balance of estrogens and androgens in the body. Therefore, rapid and efficient identification of aromatase-related endocrine disrupting chemicals (EDCs) is important for toxicology and environment risk assessment. In this study, on the basis of the Tox21 10K compound library, in silico classification models for predicting aromatase binders/nonbinders were constructed by machine learning methods. To improve the prediction ability of the models, a combined classifier (CC) strategy that combines different independent machine learning methods was adopted. Performances of the models were measured by test and external validation sets containing 1336 and 216 chemicals, respectively. The best model was obtained with the MACCS (Molecular Access System) fingerprint and CC method, which exhibited an accuracy of 0.84 for the test set and 0.91 for the external validation set. Additionally, several representative substructures for characterizing aromatase binders, such as ketone, lactone, and nitrogen-containing derivatives, were identified using information gain and substructure frequency analysis. Our study provided a systematic assessment of chemicals binding to aromatase. The built models can be helpful to rapidly identify potential EDCs targeting aromatase.

show abstract

Section: Introductionmentioning

confidence: 99%

In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods

Cai

Yang

et al. 2017

Chem. Res. Toxicol.

View full text Add to dashboard Cite

show abstract

“…Due to their high efficiency, low toxicity, and minimal residue, nitrogen‐containing heterocyclic fungicides have been widely used to protect fruit, vegetables, and grain crops among the promising new generation pesticides . However, because of their strong systemic action, bioaccumulative nature and persistence, nitrogen‐containing heterocyclic fungicides may contaminate food chains and ecosystems, potentially even interfering with the endocrine activity of human beings . Therefore, it is necessary to develop a rapid, simple, and sensitive detection method to monitor the residual levels of nitrogen‐containing heterocyclic fungicides in food and environmental samples is highly valuable and critical.…”

Section: Introductionmentioning

confidence: 99%

Facile synthesis of magnetic zinc metal‐organic framework for extraction of nitrogen‐containing heterocyclic fungicides from lettuce vegetable samples

Liu

Huang

et al. 2019

J of Separation Science

View full text Add to dashboard Cite

We present a simple method for the fabrication of a magnetic amino‐functionalized zinc metal‐organic framework based on a magnetic graphene oxide composite. The resultant framework exhibited a porous 3D structure, high surface area and good adsorption properties for nitrogen‐containing heterocyclic fungicides. The adsorption process and capacity indicated that the primary adsorption mechanism might be hydrogen bonding and π‐π conjugation. In addition, an optimized protocol for magnetic solid phase extraction was developed (such as adsorbent content, pH, and desorption solvent), and utilized for the extraction of nitrogen‐containing heterocyclic fungicides from vegetable samples. Quantitation by high performance liquid chromatography coupled with tandem mass spectrometry offered a detection limit of 0.21–1.0 μg/L (S/N = 3) with correlation coefficients larger than 0.9975. These results demonstrate that magnetic amino‐functionalized zinc metal‐organic framewor is a promising adsorbent for the extraction and quantitation of nitrogen‐containing heterocyclic fungicides.

show abstract

“…Crucian carp have quickly come to dominate freshwater fisheries. There is a strong correlation between the internal microbiota and organism health (e.g., immune response and metabolism; Lv et al., ; Zhuang et al., ). It is therefore important to compare the microbiota of the Crucian carp gut to the microbiota of its external environment.…”

Section: Introductionmentioning

confidence: 99%

Microorganism's adaptation of Crucian carp may closely relate to its living environments

et al. 2018

View full text Add to dashboard Cite

The relationship between the internal microbiome of an individual organism and that of its external environment has been little investigated in freshwater ecosystems. Thus, this is an area of interest in freshwater fish biology. Along with the genotype of the fish host, external environment plays an important role in determining the composition of the internal microbiome. Here, we characterized the variability of the microbiome of wild Crucian carp (Carassius auratus), along with those of their surrounding environments (water and mud). We found that each environment had distinct bacterial communities, with varying composition and structure. The primary bacterial phyla identified in the Crucian carp gut were Fusobacteria and Proteobacteria (90% of all bacterial phyla identified); the primary genera identified were Cetobacterium, Aeromonas, and Plesiomonas (85% of all bacterial phyla identified). We identified 1,739 operational taxonomic units (OTUs) in the Crucian carp gut, 1,703 in water, and 5,322 in mud. Each environment had unique OTUs, but the fewest unique OTUs (97) were found in the Crucian carp gut. There were significant differences in the relative abundances of different bacterial phyla in the different environments. It may be that only bacterial phyla vital for efficient fish function (e.g., immune response or metabolism), such as Fusobacteria and Proteobacteria, are retained in the Crucian carp gut.

show abstract

Effects of triazole fungicides on androgenic disruption and CYP3A4 enzyme activity

Cited by 132 publications

References 38 publications

In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods

In Silico Prediction of Chemicals Binding to Aromatase with Machine Learning Methods

Facile synthesis of magnetic zinc metal‐organic framework for extraction of nitrogen‐containing heterocyclic fungicides from lettuce vegetable samples

Microorganism's adaptation of Crucian carp may closely relate to its living environments

Contact Info

Product

Resources

About