Understanding the microscopic binding mechanism of hydroxylated and sulfated polybrominated diphenyl ethers with transthyretin by molecular docking, molecular dynamics simulations and binding free energy calculations-Reference-Cited by-同舟云学术

Understanding the microscopic binding mechanism of hydroxylated and sulfated polybrominated diphenyl ethers with transthyretin by molecular docking, molecular dynamics simulations and binding free energy calculations

Published:2017 Issue:4 Volume:13 Page:736-749
ISSN:1742-206X
Container-title:Molecular BioSystems
language:en
Short-container-title:Mol. BioSyst.

Author:

Cao Huiming¹²³⁴⁵^ORCID,Sun Yuzhen⁶⁷⁸⁵,Wang Ling¹²³⁴⁵,Zhao Chunyan⁹¹⁰¹¹⁵,Fu Jianjie¹²³⁴⁵,Zhang Aiqian¹²³⁴⁵

Affiliation:

1. State Key Laboratory of Environmental Chemistry and Ecotoxicology

2. Research Center for Eco-Environmental Sciences

3. Chinese Academy of Sciences

4. Beijing 100085

5. China

6. Institute of Environment and Health

7. Jianghan University

8. Wuhan 430056

9. School of Pharmacy

10. Lanzhou University

11. Lanzhou 730000

Abstract

The binding of TTR with sulfated-PBDEs and OH-PBDEs shows different molecular recognition mechanisms.

Publisher

Royal Society of Chemistry (RSC)

Subject

Molecular Biology,Biotechnology

Link

http://pubs.rsc.org/en/content/articlepdf/2017/MB/C6MB00638H

Reference73 articles.

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4. Hydroxylated Metabolites of Polybrominated Diphenyl Ethers in Human Blood Samples from the United States

5. Selective retention of hydroxylated PCB metabolites in blood.

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