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Representation Learning for Class C G Protein-Coupled Receptors Classification

G protein-coupled receptors (GPCRs) are integral cell membrane proteins of relevance for pharmacology. The complete tertiary structure including both extracellular and transmembrane domains has not been determined for any member of class C GPCRs. An alternative way to work on GPCR structural models...

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Autores principales: Cruz-Barbosa, Raúl, Ramos-Pérez, Erik-German, Giraldo, Jesús
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017523/
https://www.ncbi.nlm.nih.gov/pubmed/29562690
http://dx.doi.org/10.3390/molecules23030690
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author Cruz-Barbosa, Raúl
Ramos-Pérez, Erik-German
Giraldo, Jesús
author_facet Cruz-Barbosa, Raúl
Ramos-Pérez, Erik-German
Giraldo, Jesús
author_sort Cruz-Barbosa, Raúl
collection PubMed
description G protein-coupled receptors (GPCRs) are integral cell membrane proteins of relevance for pharmacology. The complete tertiary structure including both extracellular and transmembrane domains has not been determined for any member of class C GPCRs. An alternative way to work on GPCR structural models is the investigation of their functionality through the analysis of their primary structure. For this, sequence representation is a key factor for the GPCRs’ classification context, where usually, feature engineering is carried out. In this paper, we propose the use of representation learning to acquire the features that best represent the class C GPCR sequences and at the same time to obtain a model for classification automatically. Deep learning methods in conjunction with amino acid physicochemical property indices are then used for this purpose. Experimental results assessed by the classification accuracy, Matthews’ correlation coefficient and the balanced error rate show that using a hydrophobicity index and a restricted Boltzmann machine (RBM) can achieve performance results (accuracy of 92.9%) similar to those reported in the literature. As a second proposal, we combine two or more physicochemical property indices instead of only one as the input for a deep architecture in order to add information from the sequences. Experimental results show that using three hydrophobicity-related index combinations helps to improve the classification performance (accuracy of 94.1%) of an RBM better than those reported in the literature for class C GPCRs without using feature selection methods.
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spelling pubmed-60175232018-11-13 Representation Learning for Class C G Protein-Coupled Receptors Classification Cruz-Barbosa, Raúl Ramos-Pérez, Erik-German Giraldo, Jesús Molecules Article G protein-coupled receptors (GPCRs) are integral cell membrane proteins of relevance for pharmacology. The complete tertiary structure including both extracellular and transmembrane domains has not been determined for any member of class C GPCRs. An alternative way to work on GPCR structural models is the investigation of their functionality through the analysis of their primary structure. For this, sequence representation is a key factor for the GPCRs’ classification context, where usually, feature engineering is carried out. In this paper, we propose the use of representation learning to acquire the features that best represent the class C GPCR sequences and at the same time to obtain a model for classification automatically. Deep learning methods in conjunction with amino acid physicochemical property indices are then used for this purpose. Experimental results assessed by the classification accuracy, Matthews’ correlation coefficient and the balanced error rate show that using a hydrophobicity index and a restricted Boltzmann machine (RBM) can achieve performance results (accuracy of 92.9%) similar to those reported in the literature. As a second proposal, we combine two or more physicochemical property indices instead of only one as the input for a deep architecture in order to add information from the sequences. Experimental results show that using three hydrophobicity-related index combinations helps to improve the classification performance (accuracy of 94.1%) of an RBM better than those reported in the literature for class C GPCRs without using feature selection methods. MDPI 2018-03-19 /pmc/articles/PMC6017523/ /pubmed/29562690 http://dx.doi.org/10.3390/molecules23030690 Text en © 2018 by the authors. 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 (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Cruz-Barbosa, Raúl
Ramos-Pérez, Erik-German
Giraldo, Jesús
Representation Learning for Class C G Protein-Coupled Receptors Classification
title Representation Learning for Class C G Protein-Coupled Receptors Classification
title_full Representation Learning for Class C G Protein-Coupled Receptors Classification
title_fullStr Representation Learning for Class C G Protein-Coupled Receptors Classification
title_full_unstemmed Representation Learning for Class C G Protein-Coupled Receptors Classification
title_short Representation Learning for Class C G Protein-Coupled Receptors Classification
title_sort representation learning for class c g protein-coupled receptors classification
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017523/
https://www.ncbi.nlm.nih.gov/pubmed/29562690
http://dx.doi.org/10.3390/molecules23030690
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