Molecular docking of orphan receptors with fatty acid amide-Reference-Cited by-同舟云学术

Molecular docking of orphan receptors with fatty acid amide

Published:2024-05-27 Issue:2 Volume:21 Page:149-155
ISSN:2524-2350
Container-title:Proceedings of the National Academy of Sciences of Belarus, Medical series
language:
Short-container-title:Vescì Nac. akad. navuk Belarusì, Ser. med. navuk

Author:

Doronkina А. S.¹,Rudak А. А.¹,Zhavoronok I. Р.¹,Bogdan V. G.²

Affiliation:

1. Institute of Physiology of the National Academy of Sciences of Belarus

2. Department of Medical Sciences of the National Academy of Sciences of Belarus

Abstract

One of the promising directions for development of new pharmacological drugs for analgesia and other consequences of peripheral nerve damage is the study of the physiological effects of fatty acid amides. The potential selectivity of G-protein receptor antagonists has been evaluated using molecular docking and quantum chemistry methods, and its complexes with fatty acid amides have been constructed. As a result of docking, it was found that PSB-CB5 is a selective antagonist for GPR18 receptors, and O-1918 is a selective antagonist for GPR55. It was found that stable complexes are formed between fatty acid amides (REA, SEO) and orphan receptors (GPR 18, GPR55). Numerous van der Waals contacts and hydrogen bonds play a major role in the interaction of these compounds with receptors.

Publisher

Publishing House Belorusskaya Nauka

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