STUDY OF THE AFFINITY OF N-ACYL DERIVATIVES OF 2-OXO-1-PYRROLIDINE ACETAMIDE TO THE BINDING SITE OF NMDA RECEPTOR BY MOLECULAR DOCKING METHOD

• Main Authors: Chiriapkin A.S., Glushko A.A., Kodonidi I.P.
• Format: Article
• Language: English
• Published: Scientia Publishing House 2019-03-01
• Series: Juvenis Scientia
• Subjects: 2-oxo-1-pyrrolidine acetamide; N-acyl derivatives; NMDA receptor; molecular docking; binding site; biological activity; predict.; predict

The search for new compounds with а high nootropic biological activity is a promising scientific direction. A modern computational method for predicting pharmacological activity of the studied compounds is the molecular docking. The aim of this work is to study the affinity of new N-acyl derivatives of 2-oxo-1-pyrrolidine acetamide to the binding site of NMDA receptor to search of new effective nootropic drugs. As objects of study, there are used the new N-acyl derivatives of 2-oxo-1-pyrrolidine acetamide, racetams, glutamate and a virtual model of NMDA receptor of organism Rattus norvegicus with an identification code 2A5S from the RCSB PDB database. The results of the computational experiment indicate the presence of high nootropic biological activity in the compounds under study. Substance 3 has the greatest affinity of the N-acyl derivatives of 2-oxo-1-pyrrolidineethanol to the binding site of NMDA receptor Thus, we consider it is appropriate to conduct pharmacological in vivo studies of these compounds for the presence of nootropic biological activity.