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Interaction of Synthetic Cannabinoid Receptor Agonists with Cannabinoid Receptor I: Insights into Activation Molecular Mechanism
preprintsubmitted on 22.10.2020, 11:11 and posted on 22.10.2020, 12:50 by Sergei Gavryushov, Anton Bashilov, Konstantin Cherashev-Tumanov, Nikolay Kuzmich, Tatyana Burykina, Boris Izotov
The manuscript of a paper entitled "Interaction of Synthetic Cannabinoid Receptor Agonists with Cannabinoid Receptor I: Insights into Activation Molecular Mechanism". The work describes computer simulations of activation of the Cannabinoid Receptor I at binding of its agonist ligands. The molecular mechanism of the receptor-ligand interactions and receptor's activation is explored. The study includes theoretical models construction, intense molecular dynamics simulations, comparison with experimentally-known data. Some conclusions allow for better understanding of G-protein-copupled receptor mechanism of transmembrane allosteric modulation.