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A network representation approach for COVID-19 drug recommendation

The coronavirus disease 2019 (COVID-19) has outbreak since early December 2019, and COVID-19 has caused over 100 million cases and 2 million deaths around the world. After one year of the COVID-19 outbreak, there is no certain and approve medicine against it. Drug repositioning has become one line o...

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Autores principales: Liu, Haifeng, Lin, Hongfei, Shen, Chen, Yang, Liang, Lin, Yuan, Xu, Bo, Yang, Zhihao, Wang, Jian, Sun, Yuanyuan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Inc. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8458160/
https://www.ncbi.nlm.nih.gov/pubmed/34562584
http://dx.doi.org/10.1016/j.ymeth.2021.09.009
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author Liu, Haifeng
Lin, Hongfei
Shen, Chen
Yang, Liang
Lin, Yuan
Xu, Bo
Yang, Zhihao
Wang, Jian
Sun, Yuanyuan
author_facet Liu, Haifeng
Lin, Hongfei
Shen, Chen
Yang, Liang
Lin, Yuan
Xu, Bo
Yang, Zhihao
Wang, Jian
Sun, Yuanyuan
author_sort Liu, Haifeng
collection PubMed
description The coronavirus disease 2019 (COVID-19) has outbreak since early December 2019, and COVID-19 has caused over 100 million cases and 2 million deaths around the world. After one year of the COVID-19 outbreak, there is no certain and approve medicine against it. Drug repositioning has become one line of scientific research that is being pursued to develop an effective drug. However, due to the lack of COVID-19 data, there is still no specific drug repositioning targeting the COVID-19. In this paper, we propose a framework for COVID-19 drug repositioning. This framework has several advantages that can be exploited: one is that a local graph aggregating representation is used across a heterogeneous network to address the data sparsity problem; another is the multi-hop neighbors of the heterogeneous graph are aggregated to recall as many COVID-19 potential drugs as possible. Our experimental results show that our COVDR framework performs significantly better than baseline methods, and the docking simulation verifies that our three potential drugs have the ability to against COVID-19 disease.
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spelling pubmed-84581602021-09-23 A network representation approach for COVID-19 drug recommendation Liu, Haifeng Lin, Hongfei Shen, Chen Yang, Liang Lin, Yuan Xu, Bo Yang, Zhihao Wang, Jian Sun, Yuanyuan Methods Article The coronavirus disease 2019 (COVID-19) has outbreak since early December 2019, and COVID-19 has caused over 100 million cases and 2 million deaths around the world. After one year of the COVID-19 outbreak, there is no certain and approve medicine against it. Drug repositioning has become one line of scientific research that is being pursued to develop an effective drug. However, due to the lack of COVID-19 data, there is still no specific drug repositioning targeting the COVID-19. In this paper, we propose a framework for COVID-19 drug repositioning. This framework has several advantages that can be exploited: one is that a local graph aggregating representation is used across a heterogeneous network to address the data sparsity problem; another is the multi-hop neighbors of the heterogeneous graph are aggregated to recall as many COVID-19 potential drugs as possible. Our experimental results show that our COVDR framework performs significantly better than baseline methods, and the docking simulation verifies that our three potential drugs have the ability to against COVID-19 disease. Elsevier Inc. 2022-02 2021-09-23 /pmc/articles/PMC8458160/ /pubmed/34562584 http://dx.doi.org/10.1016/j.ymeth.2021.09.009 Text en © 2021 Elsevier Inc. All rights reserved. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Article
Liu, Haifeng
Lin, Hongfei
Shen, Chen
Yang, Liang
Lin, Yuan
Xu, Bo
Yang, Zhihao
Wang, Jian
Sun, Yuanyuan
A network representation approach for COVID-19 drug recommendation
title A network representation approach for COVID-19 drug recommendation
title_full A network representation approach for COVID-19 drug recommendation
title_fullStr A network representation approach for COVID-19 drug recommendation
title_full_unstemmed A network representation approach for COVID-19 drug recommendation
title_short A network representation approach for COVID-19 drug recommendation
title_sort network representation approach for covid-19 drug recommendation
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8458160/
https://www.ncbi.nlm.nih.gov/pubmed/34562584
http://dx.doi.org/10.1016/j.ymeth.2021.09.009
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