Drug repositioning by merging active subnetworks validated in cancer and COVID-19

Abstract Computational drug repositioning aims at ranking and selecting existing drugs for novel diseases or novel use in old diseases. In silico drug screening has the potential for speeding up considerably the shortlisting of promising candidates in response to outbreaks of diseases such as COVID-...

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Autores principales:	Marta Lucchetta, Marco Pellegrini
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/f24d7a8f817543edb45cc29d3711cbed
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spelling	oai:doaj.org-article:f24d7a8f817543edb45cc29d3711cbed2021-12-02T17:13:22ZDrug repositioning by merging active subnetworks validated in cancer and COVID-1910.1038/s41598-021-99399-22045-2322https://doaj.org/article/f24d7a8f817543edb45cc29d3711cbed2021-10-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-99399-2https://doaj.org/toc/2045-2322Abstract Computational drug repositioning aims at ranking and selecting existing drugs for novel diseases or novel use in old diseases. In silico drug screening has the potential for speeding up considerably the shortlisting of promising candidates in response to outbreaks of diseases such as COVID-19 for which no satisfactory cure has yet been found. We describe DrugMerge as a methodology for preclinical computational drug repositioning based on merging multiple drug rankings obtained with an ensemble of disease active subnetworks. DrugMerge uses differential transcriptomic data on drugs and diseases in the context of a large gene co-expression network. Experiments with four benchmark diseases demonstrate that our method detects in first position drugs in clinical use for the specified disease, in all four cases. Application of DrugMerge to COVID-19 found rankings with many drugs currently in clinical trials for COVID-19 in top positions, thus showing that DrugMerge can mimic human expert judgment.Marta LucchettaMarco PellegriniNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-16 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Marta Lucchetta Marco Pellegrini Drug repositioning by merging active subnetworks validated in cancer and COVID-19
description	Abstract Computational drug repositioning aims at ranking and selecting existing drugs for novel diseases or novel use in old diseases. In silico drug screening has the potential for speeding up considerably the shortlisting of promising candidates in response to outbreaks of diseases such as COVID-19 for which no satisfactory cure has yet been found. We describe DrugMerge as a methodology for preclinical computational drug repositioning based on merging multiple drug rankings obtained with an ensemble of disease active subnetworks. DrugMerge uses differential transcriptomic data on drugs and diseases in the context of a large gene co-expression network. Experiments with four benchmark diseases demonstrate that our method detects in first position drugs in clinical use for the specified disease, in all four cases. Application of DrugMerge to COVID-19 found rankings with many drugs currently in clinical trials for COVID-19 in top positions, thus showing that DrugMerge can mimic human expert judgment.
format	article
author	Marta Lucchetta Marco Pellegrini
author_facet	Marta Lucchetta Marco Pellegrini
author_sort	Marta Lucchetta
title	Drug repositioning by merging active subnetworks validated in cancer and COVID-19
title_short	Drug repositioning by merging active subnetworks validated in cancer and COVID-19
title_full	Drug repositioning by merging active subnetworks validated in cancer and COVID-19
title_fullStr	Drug repositioning by merging active subnetworks validated in cancer and COVID-19
title_full_unstemmed	Drug repositioning by merging active subnetworks validated in cancer and COVID-19
title_sort	drug repositioning by merging active subnetworks validated in cancer and covid-19
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/f24d7a8f817543edb45cc29d3711cbed
work_keys_str_mv	AT martalucchetta drugrepositioningbymergingactivesubnetworksvalidatedincancerandcovid19 AT marcopellegrini drugrepositioningbymergingactivesubnetworksvalidatedincancerandcovid19
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Drug repositioning by merging active subnetworks validated in cancer and COVID-19

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