Interaction of Synthetic Cannabinoid Receptor Agonists with Cannabinoid Receptor I: Insights into Activation Molecular Mechanism

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.