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

An, XL; Bai, QF; Bing, ZT; Liu, HX; Yao, XJ

Liu, HX; Yao, XJ (corresponding author), Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China.; Liu, HX; Yao, XJ (corresponding author), Lanzhou Univ, Dept Chem, Lanzhou 730000, Peoples R China.

COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2021; 19 (): 3978

Abstract

Activation of human free fatty acid receptor 1 (FFAR1, also called hGPR40) enhances insulin secretion in a glucose-dependent manner. Hence, the develo......

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