Cargando…
Molecular Simulations and Drug Discovery of Adenosine Receptors
G protein-coupled receptors (GPCRs) represent the largest family of human membrane proteins. Four subtypes of adenosine receptors (ARs), the A(1)AR, A(2A)AR, A(2B)AR and A(3)AR, each with a unique pharmacological profile and distribution within the tissues in the human body, mediate many physiologic...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000248/ https://www.ncbi.nlm.nih.gov/pubmed/35408454 http://dx.doi.org/10.3390/molecules27072054 |
_version_ | 1784685386980655104 |
---|---|
author | Wang, Jinan Bhattarai, Apurba Do, Hung N. Akhter, Sana Miao, Yinglong |
author_facet | Wang, Jinan Bhattarai, Apurba Do, Hung N. Akhter, Sana Miao, Yinglong |
author_sort | Wang, Jinan |
collection | PubMed |
description | G protein-coupled receptors (GPCRs) represent the largest family of human membrane proteins. Four subtypes of adenosine receptors (ARs), the A(1)AR, A(2A)AR, A(2B)AR and A(3)AR, each with a unique pharmacological profile and distribution within the tissues in the human body, mediate many physiological functions and serve as critical drug targets for treating numerous human diseases including cancer, neuropathic pain, cardiac ischemia, stroke and diabetes. The A(1)AR and A(3)AR preferentially couple to the G(i/o) proteins, while the A(2A)AR and A(2B)AR prefer coupling to the G(s) proteins. Adenosine receptors were the first subclass of GPCRs that had experimental structures determined in complex with distinct G proteins. Here, we will review recent studies in molecular simulations and computer-aided drug discovery of the adenosine receptors and also highlight their future research opportunities. |
format | Online Article Text |
id | pubmed-9000248 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-90002482022-04-12 Molecular Simulations and Drug Discovery of Adenosine Receptors Wang, Jinan Bhattarai, Apurba Do, Hung N. Akhter, Sana Miao, Yinglong Molecules Review G protein-coupled receptors (GPCRs) represent the largest family of human membrane proteins. Four subtypes of adenosine receptors (ARs), the A(1)AR, A(2A)AR, A(2B)AR and A(3)AR, each with a unique pharmacological profile and distribution within the tissues in the human body, mediate many physiological functions and serve as critical drug targets for treating numerous human diseases including cancer, neuropathic pain, cardiac ischemia, stroke and diabetes. The A(1)AR and A(3)AR preferentially couple to the G(i/o) proteins, while the A(2A)AR and A(2B)AR prefer coupling to the G(s) proteins. Adenosine receptors were the first subclass of GPCRs that had experimental structures determined in complex with distinct G proteins. Here, we will review recent studies in molecular simulations and computer-aided drug discovery of the adenosine receptors and also highlight their future research opportunities. MDPI 2022-03-22 /pmc/articles/PMC9000248/ /pubmed/35408454 http://dx.doi.org/10.3390/molecules27072054 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Review Wang, Jinan Bhattarai, Apurba Do, Hung N. Akhter, Sana Miao, Yinglong Molecular Simulations and Drug Discovery of Adenosine Receptors |
title | Molecular Simulations and Drug Discovery of Adenosine Receptors |
title_full | Molecular Simulations and Drug Discovery of Adenosine Receptors |
title_fullStr | Molecular Simulations and Drug Discovery of Adenosine Receptors |
title_full_unstemmed | Molecular Simulations and Drug Discovery of Adenosine Receptors |
title_short | Molecular Simulations and Drug Discovery of Adenosine Receptors |
title_sort | molecular simulations and drug discovery of adenosine receptors |
topic | Review |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9000248/ https://www.ncbi.nlm.nih.gov/pubmed/35408454 http://dx.doi.org/10.3390/molecules27072054 |
work_keys_str_mv | AT wangjinan molecularsimulationsanddrugdiscoveryofadenosinereceptors AT bhattaraiapurba molecularsimulationsanddrugdiscoveryofadenosinereceptors AT dohungn molecularsimulationsanddrugdiscoveryofadenosinereceptors AT akhtersana molecularsimulationsanddrugdiscoveryofadenosinereceptors AT miaoyinglong molecularsimulationsanddrugdiscoveryofadenosinereceptors |