In silico exploration of hydroxylated polychlorinated biphenyls as estrogen receptor β ligands by 3D-QSAR, molecular docking and molecular dynamics simulations-Reference-Cited by-同舟云学术

In silico exploration of hydroxylated polychlorinated biphenyls as estrogen receptor β ligands by 3D-QSAR, molecular docking and molecular dynamics simulations

Published:2021-03-01 Issue: Volume: Page:1-12
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Wang Fangfang¹,Qiu Yingchao¹,Zhou Bo²

Affiliation:

1. School of Life Science, Linyi University, Linyi, China

2. State Key Laboratory of Functions and Applications of Medicinal Plants, College of Basic Medical, Guizhou Medical University, Guizhou, China

Funder

the National Natural Science Foundation of China

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1890220

Reference44 articles.

1. Occurrence and Distribution of Two Hydroxylated Polychlorinated Biphenyl Congeners in Chicago Air

2. Perfluoroalkyl substances in polar bear mother–cub pairs: A comparative study based on plasma levels from 1998 and 2008

3. Human epidemiological evidence about the associations between exposure to organochlorine chemicals and endometriosis: Systematic review and meta-analysis

4. Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on the aryl hydrocarbon receptor agonistic activity of hydroxylated polychlorinated biphenyls

5. Investigations of retinoic acid receptor-related orphan receptor-gamma t (RORγt) agonists: a combination of 3D-QSAR, molecular docking and molecular dynamics

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