Structural investigation of Keap1–Nrf2 protein–protein interaction (PPI) inhibitors for treating myocarditis through molecular simulations

Author:

Tuo Yan1ORCID,Tang Yuelu12,Yu Yongxin1,Liang Haoran134ORCID,Huang Bin5,Geng Shan6,Wang Yuanqiang134

Affiliation:

1. School of Pharmacy and Bioengineering, Chongqing University of Technology, Chongqing 400054, China

2. Chongqing University Cancer Hospital, Chongqing 400030, China

3. Chongqing Key Laboratory of Medicinal Chemistry & Molecular Pharmacology, Chongqing University of Technology, Chongqing 400054, China

4. Chongqing Key Laboratory of Target Based Drug Screening and Activity Evaluation, Chongqing University of Technology, Chongqing 400054, China

5. School of Foreign Languages, Chongqing University of Technology, Chongqing 400054, China

6. The People's Hospital of Dazu, Chongqing 402360, China

Abstract

Multiple computer techniques have been combined to explore the molecular mechanism of Keap1-inhibitors and develop novel Keap1–Nrf2 protein–protein interaction inhibitors against myocarditis.

Funder

Chongqing University of Technology

Natural Science Foundation of Chongqing

Chongqing Municipal Education Commission

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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