Dynamics of the Apo µ-Opioid Receptor in Complex with Gi Protein.

ABSTRACT: Opioid receptors, particularly the µ-opioid receptor (μOR), play a pivotal role in mediating the analgesic and addictive effects of opioid drugs. G protein signaling is an important pathway of μOR function, usually associated with painkilling effects. However, the molecular mechanisms underlying the interaction between the μOR and G protein remain poorly understood. In this study, we employed classical all-atom molecular dynamics simulations to investigate the structural changes occurring with the μOR-G protein complex under two different conditions: with the G protein in the apo form (open) and with the GDP bound G protein (closed, holo form). The receptor was in the apo form and active conformation in both cases, and the simulation time comprised 1µs for each system. In order to assess t

SUBMITTER: Lima MRP 

PROVIDER: S-EPMC10487971 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature