Ontology highlight
ABSTRACT:
SUBMITTER: Wang YT
PROVIDER: S-EPMC5552784 | biostudies-literature | 2017 Aug
REPOSITORIES: biostudies-literature
Scientific reports 20170810 1
The most powerful analgesic and addictive properties of opiate alkaloids are mediated by the μ opioid receptor (MOR). The MOR has been extensively investigated as a drug target in the twentieth century, with numerous compounds of varying efficacy being identified. We employed molecular dynamics and Gaussian accelerated molecular dynamics techniques to identify the binding mechanisms of MORs to BU72 (agonist) and β-funaltrexamine (antagonist). Our approach theoretically suggests that the 34 resid ...[more]