Nalmefene non-enantioselectively targets myeloid differentiation protein 2 and inhibits toll-like receptor 4 signaling: wet-lab techniques and in silico simulations-Reference-Cited by-同舟云学术

Nalmefene non-enantioselectively targets myeloid differentiation protein 2 and inhibits toll-like receptor 4 signaling: wet-lab techniques and in silico simulations

Published:2021 Issue: Volume: Page:
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhang Xiaozheng¹²³⁴⁵,Wang Hongshuang⁶⁷⁸⁹⁵,Wang Yibo⁶⁷⁸⁹⁵,Li Hongyuan⁶⁷⁸⁹⁵,Wu Siru⁶⁷⁸⁹⁵,Gao Jingwei⁶⁷⁸⁹⁵,Zhang Tianshu⁶⁷⁸⁹⁵,Xie Jun¹²³⁴⁵,Wang Xiaohui⁶⁷⁸⁹⁵^ORCID

Affiliation:

1. Department of Biochemistry and Molecular Biology

2. Shanxi Key Laboratory of Birth Defect and Cell Regeneration

3. Shanxi Medical University

4. Taiyuan

5. China

6. Laboratory of Chemical Biology

7. Changchun Institute of Applied Chemistry

8. Chinese Academy of Sciences

9. Changchun

Abstract

The (−)-nalmefene and (+)-nalmefene behave similarly while binding to the cavity of MD-2 and modulating the TLR4 signaling. Bioisosteric replacement with =CH₂ at the 6-position of naltrexone improves its lipophilicity and TLR4 antagonist activity.

Funder

National Natural Science Foundation of China

Chinese Academy of Sciences

Changchun Institute of Applied Chemistry

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP00237F

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1. Pattern Recognition Receptors and Inflammation