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Systematic Down-Selection of Repurposed Drug Candidates for COVID-19

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dc.contributor.author Agarwal, Vinti
dc.date.accessioned 2023-01-10T07:12:30Z
dc.date.available 2023-01-10T07:12:30Z
dc.date.issued 2022
dc.identifier.uri https://www.mdpi.com/1422-0067/23/19/11851
dc.identifier.uri http://dspace.bits-pilani.ac.in:8080/xmlui/handle/123456789/8430
dc.description.abstract SARS-CoV-2 is the cause of the COVID-19 pandemic which has claimed more than 6.5 million lives worldwide, devastating the economy and overwhelming healthcare systems globally. The development of new drug molecules and vaccines has played a critical role in managing the pandemic; however, new variants of concern still pose a significant threat as the current vaccines cannot prevent all infections. This situation calls for the collaboration of biomedical scientists and healthcare workers across the world. Repurposing approved drugs is an effective way of fast-tracking new treatments for recently emerged diseases. To this end, we have assembled and curated a database consisting of 7817 compounds from the Compounds Australia Open Drug collection. We developed a set of eight filters based on indicators of efficacy and safety that were applied sequentially to down-select drugs that showed promise for drug repurposing efforts against SARS-CoV-2. Considerable effort was made to evaluate approximately 14,000 assay data points for SARS-CoV-2 FDA/TGA-approved drugs and provide an average activity score for 3539 compounds. The filtering process identified 12 FDA-approved molecules with established safety profiles that have plausible mechanisms for treating COVID-19 disease. The methodology developed in our study provides a template for prioritising drug candidates that can be repurposed for the safe, efficacious, and cost-effective treatment of COVID-19, long COVID, or any other future disease. We present our database in an easy-to-use interactive interface (CoviRx that was also developed to enable the scientific community to access to the data of over 7000 potential drugs and to implement alternative prioritisation and down-selection strategies. en_US
dc.language.iso en en_US
dc.publisher IJMS en_US
dc.subject Computer Science en_US
dc.subject COVID-19 en_US
dc.subject CoviRx.org en_US
dc.subject Database en_US
dc.subject Drugs en_US
dc.subject Repurposing en_US
dc.subject SARS-CoV-2 en_US
dc.subject Variants of Concern (VOC) en_US
dc.title Systematic Down-Selection of Repurposed Drug Candidates for COVID-19 en_US
dc.type Article en_US


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