Browsing University of Tartu, Institute of Chemistry, Molecular Technology (Estonia) by Endpoint "4. Human health effects 4.18. Endocrine Activity"

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Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.

Published: Alfonso T. Garcia-Sosa, Uko Maran (2021-06-22)

Abstract: Many chemicals that enter the environment, food chain, and the human body can disrupt androgen-dependent pathways and mimic hormones and therefore, may be responsible for multiple diseases from reproductive to tumor. Thus, modeling and predicting androgen binding activity is an important area of research. The aim of the current study was to find a method or ...

HumanHealth Classification
Li, F.; Wu, H.; Li, L.; Li, X.; Zhao, J.; Peijnenburg, W. J. G. M. Docking and QSAR study on the binding interactions between polycyclic aromatic hydrocarbons and estrogen receptor. Ecotoxicology and Environmental Safety 2012, 80, 273 - 279.

Published: Geven Piir (2016-09-27)

Abstract: Little is known about the estrogenic activities of polycyclic aromatic hydrocarbons (PAHs) and the underlying mechanisms on estrogenic activities are still unclear. Molecular docking and quantitative structure–activity relationship (QSAR) were used to understand the relationship between molecular structural features and estrogenic activity, and to predict the ...

HumanHealth Regression
Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.

Published: Geven Piir, Sulev Sild, Uko Maran (2020-07-16)

Abstract: Androgens and androgen receptor regulate a variety of biological effects in the human body. The impaired functioning of androgen receptor may have different adverse health effects from cancer to infertility. Therefore, it is important to determine whether new chemicals have any binding activity and act as androgen agonists or antagonists before commercial use. ...

HumanHealth Classification DescriptorCalculation
Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2023.

Published: Geven Piir, Sulev Sild, Uko Maran (2023-09-14)

Abstract: An abnormal hormonal activity or exposure to endocrine-disrupting chemicals (EDCs) can cause endocrine system malfunction. Among the many interactions EDCs can affect is the disruption of estrogen signalling, which can lead to adverse health effects such as cancer, osteoporosis, neurodegenerative diseases, cardiovascular disease, insulin resistance, and obesity. ...

HumanHealth Classification DescriptorCalculation

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Browsing University of Tartu, Institute of Chemistry, Molecular Technology (Estonia) by Endpoint "4. Human health effects 4.18. Endocrine Activity"

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