Synergistic regulation mechanism of iperoxo and LY2119620 for muscarinic acetylcholine M2 receptor.

ABSTRACT: Muscarinic acetylcholine receptors are GPCRs that regulate the activity of a diverse array of central and peripheral functions in the human body, including the parasympathetic actions of acetylcholine. The M2 muscarinic receptor subtype plays a key role in modulating cardiac function and many important central processes. The orthosteric agonist and allosteric modulator can bind the pocket of M2. However, the detailed relationship between orthosteric agonist and allosteric modulator of M2 is still unclear. In this study, we intend to elucidate the residue-level regulation mechanism and pathway via a combined approach of dynamical correlation network and molecular dynamics simulation. Specifically computational residue-level fluctuation correlation data was analyzed to reveal detailed

SUBMITTER: Li Q 

PROVIDER: S-EPMC9079678 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature