Exploring NCATS in-house biomedical data for evidence-based drug repurposing.
Drug repurposing is a strategy for identifying new uses of approved or investigational drugs that are outside the scope of the original medical indication. Even though many repurposed drugs have been found serendipitously in the past, the increasing availability of large volumes of biomedical data h...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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Public Library of Science (PLoS)
2024-01-01
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| Series: | PLoS ONE |
| Online Access: | https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0289518&type=printable |
| _version_ | 1797322384331505664 |
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| author | Fang Liu Andrew Patt Chloe Chen Ruili Huang Yanji Xu Ewy A Mathé Qian Zhu |
| author_facet | Fang Liu Andrew Patt Chloe Chen Ruili Huang Yanji Xu Ewy A Mathé Qian Zhu |
| author_sort | Fang Liu |
| collection | DOAJ |
| description | Drug repurposing is a strategy for identifying new uses of approved or investigational drugs that are outside the scope of the original medical indication. Even though many repurposed drugs have been found serendipitously in the past, the increasing availability of large volumes of biomedical data has enabled more systemic, data-driven approaches for drug candidate identification. At National Center of Advancing Translational Sciences (NCATS), we invent new methods to generate new data and information publicly available to spur innovation and scientific discovery. In this study, we aimed to explore and demonstrate biomedical data generated and collected via two NCATS research programs, the Toxicology in the 21st Century program (Tox21) and the Biomedical Data Translator (Translator) for the application of drug repurposing. These two programs provide complementary types of biomedical data from uncovering underlying biological mechanisms with bioassay screening data from Tox21 for chemical clustering, to enrich clustered chemicals with scientific evidence mined from the Translator towards drug repurposing. 129 chemical clusters have been generated and three of them have been further investigated for drug repurposing candidate identification, which is detailed as case studies. |
| first_indexed | 2024-03-08T05:13:31Z |
| format | Article |
| id | doaj.art-c5a74157b6c5458da29968b1c9bcf6b0 |
| institution | Directory Open Access Journal |
| issn | 1932-6203 |
| language | English |
| last_indexed | 2024-03-08T05:13:31Z |
| publishDate | 2024-01-01 |
| publisher | Public Library of Science (PLoS) |
| record_format | Article |
| series | PLoS ONE |
| spelling | doaj.art-c5a74157b6c5458da29968b1c9bcf6b02024-02-07T05:31:20ZengPublic Library of Science (PLoS)PLoS ONE1932-62032024-01-01191e028951810.1371/journal.pone.0289518Exploring NCATS in-house biomedical data for evidence-based drug repurposing.Fang LiuAndrew PattChloe ChenRuili HuangYanji XuEwy A MathéQian ZhuDrug repurposing is a strategy for identifying new uses of approved or investigational drugs that are outside the scope of the original medical indication. Even though many repurposed drugs have been found serendipitously in the past, the increasing availability of large volumes of biomedical data has enabled more systemic, data-driven approaches for drug candidate identification. At National Center of Advancing Translational Sciences (NCATS), we invent new methods to generate new data and information publicly available to spur innovation and scientific discovery. In this study, we aimed to explore and demonstrate biomedical data generated and collected via two NCATS research programs, the Toxicology in the 21st Century program (Tox21) and the Biomedical Data Translator (Translator) for the application of drug repurposing. These two programs provide complementary types of biomedical data from uncovering underlying biological mechanisms with bioassay screening data from Tox21 for chemical clustering, to enrich clustered chemicals with scientific evidence mined from the Translator towards drug repurposing. 129 chemical clusters have been generated and three of them have been further investigated for drug repurposing candidate identification, which is detailed as case studies.https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0289518&type=printable |
| spellingShingle | Fang Liu Andrew Patt Chloe Chen Ruili Huang Yanji Xu Ewy A Mathé Qian Zhu Exploring NCATS in-house biomedical data for evidence-based drug repurposing. PLoS ONE |
| title | Exploring NCATS in-house biomedical data for evidence-based drug repurposing. |
| title_full | Exploring NCATS in-house biomedical data for evidence-based drug repurposing. |
| title_fullStr | Exploring NCATS in-house biomedical data for evidence-based drug repurposing. |
| title_full_unstemmed | Exploring NCATS in-house biomedical data for evidence-based drug repurposing. |
| title_short | Exploring NCATS in-house biomedical data for evidence-based drug repurposing. |
| title_sort | exploring ncats in house biomedical data for evidence based drug repurposing |
| url | https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0289518&type=printable |
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