Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations

Activation of human free fatty acid receptor 1 (FFAR1, also called hGPR40) enhances insulin secretion in a glucose-dependent manner. Hence, the development of selective agonist targeting hGPR40 has been proposed as a therapeutic strategy of type 2 diabetes mellitus. Some agonists targeting hGPR40 we...

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Detalles Bibliográficos
Autores principales: An, Xiaoli, Bai, Qifeng, Bing, Zhitong, Liu, Huanxiang, Yao, Xiaojun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8313488/
https://www.ncbi.nlm.nih.gov/pubmed/34377364
http://dx.doi.org/10.1016/j.csbj.2021.07.008

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