The binding mechanism of NHWD-870 to bromodomain-containing protein 4 based on molecular dynamics simulations and free energy calculation-Reference-Cited by-同舟云学术

The binding mechanism of NHWD-870 to bromodomain-containing protein 4 based on molecular dynamics simulations and free energy calculation

Published:2022 Issue:8 Volume:24 Page:5125-5137
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Shi Mingsong¹,He Jun¹,Weng Tiantian¹,Shi Na¹,Qi Wenyan¹,Guo Yong¹,Chen Tao¹,Chen Lijuan¹,Xu Dingguo²³^ORCID

Affiliation:

1. State Key Laboratory of Biotherapy/Collaborative Innovation Center of Biotherapy and Cancer Center, West China Hospital of Sichuan University, Chengdu, Sichuan 610041, China

2. College of Chemistry, MOE Key Laboratory of Green Chemistry and Technology, Sichuan University, Chengdu, Sichuan 610064, China

3. Research Center for Material Genome Engineering, Sichuan University, Chengdu, Sichuan 610065, China

Abstract

Bromodomain and extra-terminal (BET) proteins (BRD2, BRD3, BRD4, and BRDT) are epigenetic readers with tandem bromodomains.

Funder

National Natural Science Foundation of China

West China Hospital, Sichuan University

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05490B

Reference100 articles.

1. Novel therapeutic evaluation biomarkers of lipid metabolism targets in uncomplicated pulmonary tuberculosis patients

2. Achieving clinical success with BET inhibitors as anti-cancer agents

3. Pharmacological Targeting of BET Bromodomain Proteins in Acute Myeloid Leukemia and Malignant Lymphomas: From Molecular Characterization to Clinical Applications

4. Modulation of BRD4 in HIV epigenetic regulation: implications for finding an HIV cure

5. Role of BET Inhibitors in Triple Negative Breast Cancers

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