Basic Study
Copyright ©The Author(s) 2023. Published by Baishideng Publishing Group Inc. All rights reserved.
World J Pharmacol. Jun 16, 2023; 12(3): 25-34
Published online Jun 16, 2023. doi: 10.5497/wjp.v12.i3.25
In silico insight into Amurensinine - an N-Methyl-D-Aspartate receptor antagonist
Cinthia Façanha Wendel, Queren Hapuque Oliveira Alencar, Rafaela Viana Vieira, Kádima Nayara Teixeira
Cinthia Façanha Wendel, Queren Hapuque Oliveira Alencar, Rafaela Viana Vieira, Kádima Nayara Teixeira, Campus Toledo, Universidade Federal do Paraná, Toledo 85.919-899, Paraná, Brazil
Cinthia Façanha Wendel, Kádima Nayara Teixeira, Programa Multicêntrico de Pós-graduação em Bioquímica e Biologia Molecular - Setor Palotina, Universidade Federal do Paraná, Palotina 85.950-000, Paraná, Brazil
Author contributions: Façanha Wendel C performed the experiments and analyzed the results; Hapuque Oliveira Alencar Q and Viana Vieira R wrote the manuscript; Teixeira KN interpreted the data, performed the critical analysis of the results and coordinated the study; All authors approved the final version of the manuscript.
Institutional review board statement: The study was conducted in silico and involved neither humans nor animals, so it was not necessary Institutional review board statement.
Conflict-of-interest statement: All the authors report no relevant conflicts of interest for this article.
Data sharing statement: The study was conducted only in a computational environment and the data and three-dimensional structures used are available in public online databases.
Open-Access: This article is an open-access article that was selected by an in-house editor and fully peer-reviewed by external reviewers. It is distributed in accordance with the Creative Commons Attribution NonCommercial (CC BY-NC 4.0) license, which permits others to distribute, remix, adapt, build upon this work non-commercially, and license their derivative works on different terms, provided the original work is properly cited and the use is non-commercial. See:
Corresponding author: Kádima Nayara Teixeira, PhD, Professor, Campus Toledo, Univer-sidade Federal do Paraná, Max Planck 3796, Toledo 85.919-899, Paraná,
Received: March 1, 2023
Peer-review started: March 1, 2023
First decision: April 13, 2023
Revised: May 5, 2023
Accepted: May 31, 2023
Article in press: May 31, 2023
Published online: June 16, 2023
Research background

Isopavines are alkaloids derived from plants of the genus Papaver that have biological activity for the treatment of neurological disorders. Amurensinine is a little-studied isopavine whose activity in relation to neurological disorders has not been studied. Research on this isopavine may contribute new information about its action.

Research motivation

The research motivation was the scarce literature on the subject. There are few studies in health care using isopavines; similarly, studies on Amurensinine are quite scarce. Therefore, we studied Amurensinine in silico to verify its preliminary therapeutic potential.

Research objectives

To study, in silico, the interaction between Amurensinine and the N-methyl-D-Aspartate (NMDA) receptor, which is involved in the onset of neurological disorders.

Research methods

In this study we used molecular docking, a standardized bioinformatics methodology for analyzing chemical interactions between receptors and ligands.

Research results

The research results indicated that Amurensinine can interact with the NMDA receptor with high affinity, and that its protonation state does not significantly interfere with this affinity.

Research conclusions

The results of the research were satisfactory, as Amurensinine was able to bind to the tNMDA receptor. The occurrence of interaction indicates that this isopavine may interfere with the activity of the receptor. Since it binds with similar affinity and to the same subunit as the antagonist Ifenprodil, it may act as an inhibitor of the receptor. However, in vitro and in vivo studies are needed to affirm this.

Research perspectives

The research perspective is to conduct further in silico analyses with Amurensinine and other receptors involved in the onset of neurological diseases to further evaluate the potential of this isopavine for health care.