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Computational Methods in Cooperation with Experimental Approaches to Design Protein Tyrosine Phosphatase 1B Inhibitors in Type 2 Diabetes Drug Design: A Review of the Achievements of This Century

Protein tyrosine phosphatase 1B (PTP1B) dephosphorylates phosphotyrosine residues and is an important regulator of several signaling pathways, such as insulin, leptin, and the ErbB signaling network, among others. Therefore, this enzyme is considered an attractive target to design new drugs against...

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Autores principales: Campos-Almazán, Mara Ibeth, Hernández-Campos, Alicia, Castillo, Rafael, Sierra-Campos, Erick, Valdez-Solana, Mónica, Avitia-Domínguez, Claudia, Téllez-Valencia, Alfredo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9322956/
https://www.ncbi.nlm.nih.gov/pubmed/35890163
http://dx.doi.org/10.3390/ph15070866
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author Campos-Almazán, Mara Ibeth
Hernández-Campos, Alicia
Castillo, Rafael
Sierra-Campos, Erick
Valdez-Solana, Mónica
Avitia-Domínguez, Claudia
Téllez-Valencia, Alfredo
author_facet Campos-Almazán, Mara Ibeth
Hernández-Campos, Alicia
Castillo, Rafael
Sierra-Campos, Erick
Valdez-Solana, Mónica
Avitia-Domínguez, Claudia
Téllez-Valencia, Alfredo
author_sort Campos-Almazán, Mara Ibeth
collection PubMed
description Protein tyrosine phosphatase 1B (PTP1B) dephosphorylates phosphotyrosine residues and is an important regulator of several signaling pathways, such as insulin, leptin, and the ErbB signaling network, among others. Therefore, this enzyme is considered an attractive target to design new drugs against type 2 diabetes, obesity, and cancer. To date, a wide variety of PTP1B inhibitors that have been developed by experimental and computational approaches. In this review, we summarize the achievements with respect to PTP1B inhibitors discovered by applying computer-assisted drug design methodologies (virtual screening, molecular docking, pharmacophore modeling, and quantitative structure–activity relationships (QSAR)) as the principal strategy, in cooperation with experimental approaches, covering articles published from the beginning of the century until the time this review was submitted, with a focus on studies conducted with the aim of discovering new drugs against type 2 diabetes. This review encourages the use of computational techniques and includes helpful information that increases the knowledge generated to date about PTP1B inhibition, with a positive impact on the route toward obtaining a new drug against type 2 diabetes with PTP1B as a molecular target.
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spelling pubmed-93229562022-07-27 Computational Methods in Cooperation with Experimental Approaches to Design Protein Tyrosine Phosphatase 1B Inhibitors in Type 2 Diabetes Drug Design: A Review of the Achievements of This Century Campos-Almazán, Mara Ibeth Hernández-Campos, Alicia Castillo, Rafael Sierra-Campos, Erick Valdez-Solana, Mónica Avitia-Domínguez, Claudia Téllez-Valencia, Alfredo Pharmaceuticals (Basel) Review Protein tyrosine phosphatase 1B (PTP1B) dephosphorylates phosphotyrosine residues and is an important regulator of several signaling pathways, such as insulin, leptin, and the ErbB signaling network, among others. Therefore, this enzyme is considered an attractive target to design new drugs against type 2 diabetes, obesity, and cancer. To date, a wide variety of PTP1B inhibitors that have been developed by experimental and computational approaches. In this review, we summarize the achievements with respect to PTP1B inhibitors discovered by applying computer-assisted drug design methodologies (virtual screening, molecular docking, pharmacophore modeling, and quantitative structure–activity relationships (QSAR)) as the principal strategy, in cooperation with experimental approaches, covering articles published from the beginning of the century until the time this review was submitted, with a focus on studies conducted with the aim of discovering new drugs against type 2 diabetes. This review encourages the use of computational techniques and includes helpful information that increases the knowledge generated to date about PTP1B inhibition, with a positive impact on the route toward obtaining a new drug against type 2 diabetes with PTP1B as a molecular target. MDPI 2022-07-14 /pmc/articles/PMC9322956/ /pubmed/35890163 http://dx.doi.org/10.3390/ph15070866 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
Campos-Almazán, Mara Ibeth
Hernández-Campos, Alicia
Castillo, Rafael
Sierra-Campos, Erick
Valdez-Solana, Mónica
Avitia-Domínguez, Claudia
Téllez-Valencia, Alfredo
Computational Methods in Cooperation with Experimental Approaches to Design Protein Tyrosine Phosphatase 1B Inhibitors in Type 2 Diabetes Drug Design: A Review of the Achievements of This Century
title Computational Methods in Cooperation with Experimental Approaches to Design Protein Tyrosine Phosphatase 1B Inhibitors in Type 2 Diabetes Drug Design: A Review of the Achievements of This Century
title_full Computational Methods in Cooperation with Experimental Approaches to Design Protein Tyrosine Phosphatase 1B Inhibitors in Type 2 Diabetes Drug Design: A Review of the Achievements of This Century
title_fullStr Computational Methods in Cooperation with Experimental Approaches to Design Protein Tyrosine Phosphatase 1B Inhibitors in Type 2 Diabetes Drug Design: A Review of the Achievements of This Century
title_full_unstemmed Computational Methods in Cooperation with Experimental Approaches to Design Protein Tyrosine Phosphatase 1B Inhibitors in Type 2 Diabetes Drug Design: A Review of the Achievements of This Century
title_short Computational Methods in Cooperation with Experimental Approaches to Design Protein Tyrosine Phosphatase 1B Inhibitors in Type 2 Diabetes Drug Design: A Review of the Achievements of This Century
title_sort computational methods in cooperation with experimental approaches to design protein tyrosine phosphatase 1b inhibitors in type 2 diabetes drug design: a review of the achievements of this century
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9322956/
https://www.ncbi.nlm.nih.gov/pubmed/35890163
http://dx.doi.org/10.3390/ph15070866
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