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An in silico Approach for Integrating Phenotypic and Target‐based Approaches in Drug Discovery
Phenotypic and target‐based approaches are useful methods in drug discovery. The phenotypic approach is an experimental approach for evaluating the phenotypic response. The target‐based approach is a rational approach for screening drug candidates targeting a biomolecule that causes diseases. These...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7050533/ https://www.ncbi.nlm.nih.gov/pubmed/31638744 http://dx.doi.org/10.1002/minf.201900096 |
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author | Iwata, Hiroaki Kojima, Ryosuke Okuno, Yasushi |
author_facet | Iwata, Hiroaki Kojima, Ryosuke Okuno, Yasushi |
author_sort | Iwata, Hiroaki |
collection | PubMed |
description | Phenotypic and target‐based approaches are useful methods in drug discovery. The phenotypic approach is an experimental approach for evaluating the phenotypic response. The target‐based approach is a rational approach for screening drug candidates targeting a biomolecule that causes diseases. These approaches are widely used for drug discovery. However, two serious problems of target deconvolution and polypharmacology are encountered in these conventional experimental approaches. To overcome these two problems, we developed a new in silico method using a probabilistic framework. This method integrates both the phenotypic and target‐based approaches to estimate a relevant network from compound to phenotype. Our method can computationally execute target deconvolution considering polypharmacology and can provide keys for understanding the pathway and mechanism from compound to phenotype, thereby promoting drug discovery. |
format | Online Article Text |
id | pubmed-7050533 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | John Wiley and Sons Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-70505332020-03-09 An in silico Approach for Integrating Phenotypic and Target‐based Approaches in Drug Discovery Iwata, Hiroaki Kojima, Ryosuke Okuno, Yasushi Mol Inform Full Papers Phenotypic and target‐based approaches are useful methods in drug discovery. The phenotypic approach is an experimental approach for evaluating the phenotypic response. The target‐based approach is a rational approach for screening drug candidates targeting a biomolecule that causes diseases. These approaches are widely used for drug discovery. However, two serious problems of target deconvolution and polypharmacology are encountered in these conventional experimental approaches. To overcome these two problems, we developed a new in silico method using a probabilistic framework. This method integrates both the phenotypic and target‐based approaches to estimate a relevant network from compound to phenotype. Our method can computationally execute target deconvolution considering polypharmacology and can provide keys for understanding the pathway and mechanism from compound to phenotype, thereby promoting drug discovery. John Wiley and Sons Inc. 2019-10-22 2020-01 /pmc/articles/PMC7050533/ /pubmed/31638744 http://dx.doi.org/10.1002/minf.201900096 Text en © 2019 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Full Papers Iwata, Hiroaki Kojima, Ryosuke Okuno, Yasushi An in silico Approach for Integrating Phenotypic and Target‐based Approaches in Drug Discovery |
title | An in silico Approach for Integrating Phenotypic and Target‐based Approaches in Drug Discovery |
title_full | An in silico Approach for Integrating Phenotypic and Target‐based Approaches in Drug Discovery |
title_fullStr | An in silico Approach for Integrating Phenotypic and Target‐based Approaches in Drug Discovery |
title_full_unstemmed | An in silico Approach for Integrating Phenotypic and Target‐based Approaches in Drug Discovery |
title_short | An in silico Approach for Integrating Phenotypic and Target‐based Approaches in Drug Discovery |
title_sort | in silico approach for integrating phenotypic and target‐based approaches in drug discovery |
topic | Full Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7050533/ https://www.ncbi.nlm.nih.gov/pubmed/31638744 http://dx.doi.org/10.1002/minf.201900096 |
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