Molecular docking and ADME evaluation of potential nootropics containing the pyrrolidin-2-one scaffold

Abstract

Introduction. The search for new nootropics remains relevant due to the rising prevalence of cogni- tive disorders, including post-COVID syndrome [1,2]. Existing racetams enhance neuronal plasticity and metabolism [3] but often show low bioavailability or moderate efficacy. Therefore, the rational molecular design of new derivatives containing a pyrrolidin-2-one fragment – the structural scaffold that underlies receptor binding and ensures favorable pharmacokinetic properties – is well justified. The modern in silico methods allow optimization of their nootropic activity, selectivity, and safety