Investigation of ECD conformational transition mechanism of GLP-1R by molecular dynamics simulations and Markov state model

Author:

Zhang Jintu12345,Bai Qifeng12345ORCID,Pérez-Sánchez Horacio6789,Shang Shuxia104511,An Xiaoli12345,Yao Xiaojun104511

Affiliation:

1. Key Lab of Preclinical Study for New Drugs of Gansu Province

2. Institute of Biochemistry and Molecular Biology

3. School of Basic Medical Sciences

4. Lanzhou University

5. Lanzhou

6. Computer Science Department

7. Universidad Católica San Antonio de Murcia (UCAM)

8. Murcia

9. Spain

10. College of Chemistry and Chemical Engineering

11. P. R. China

Abstract

As a member of the class B G protein-coupled receptors (GPCRs), the glucagon-like peptide-1 (GLP-1) can regulate the blood glucose level by binding to the glucagon-like peptide-1 receptor (GLP-1R).

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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