Abstract:
The calculations using the MM-GBSA method demonstrated that the neuropeptide cycloprolylglycine, structurally and pharmacologically resembling the classical nootropic piracetam, can bind to the piracetam site of the ligand- binding domain of the GluA3i AMPA receptor subtype with the binding energy higher than that of piracetam. Thus, together with the previous electrophysiological and biochemical data, the computational results confirm that cycloprolylglycine may be an endogenous ampakine.
Keywords:allosteric site of AMPA receptor, endogenous ampakine, cycloprolylglycine, piracetam, MM-GBSA.