Electrostatic and conformational analysis of piracetam and cyclo-L-prolylglycine to explain their potency difference

Mendeleev Communications 2026

View at publisher
Authors: Dmitry Alexandrovich Shulga, Arslan Ramilevich Shaimardanov, Georgy A Polovinkin, Vitaly S Frolov, Vladimir Alexandrovich Palyulin
DOI: 10.71267/mencom.7968
Cited by: 0
References: 13

Abstract

The molecular electrostatic potential of the classical nootropic drug piracetam in several of its probable conformations was shown to resemble that of the neuropeptide cyclo-L-prolylglycine in its rigidly fixed conformation. Furthermore, the probability of observing this specific conformation was found to be close to the activity ratio of piracetam to cyclo-L-prolylglycine. These results support the previously proposed hypothesis that cyclo-L-prolylglycine is an endogenous analog of piracetam.

Fields of Study & Subjects

Computational Drug Discovery Methods Advanced Chemical Physics Studies Protein Structure and Dynamics

Publication details

Journal / source
Mendeleev Communications
Volume
36
Issue
4
Pages
379–381
Publication date
1 January 2026
Language
RU