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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...

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Autores principales: Wang, Jinan, Bhattarai, Apurba, Do, Hung N., Akhter, Sana, Miao, Yinglong
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
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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.
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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
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