DrugCentral 2021 supports drug discovery and repositioning

Sorin Avram; Cristian G. Bologa; Jayme Holmes; Giovanni Bocci; Thomas B. Wilson; Dac Trung Nguyen; Ramona Curpan; Liliana Halip; Alina Bora; Jeremy J. Yang; Jeffrey Knockel; Suman Sirimulla; Oleg Ursu; Tudor I. Oprea

doi:10.1093/nar/gkaa997

DrugCentral 2021 supports drug discovery and repositioning

Sorin Avram, Cristian G. Bologa, Jayme Holmes, Giovanni Bocci, Thomas B. Wilson, Dac Trung Nguyen, Ramona Curpan, Liliana Halip, Alina Bora, Jeremy J. Yang, Jeffrey Knockel, Suman Sirimulla, Oleg Ursu, Tudor I. Oprea

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

128 Citationer (Scopus)

21 Downloads (Pure)

Abstract

DrugCentral is a public resource (http://drugcentral.org) that serves the scientific community by providing up-to-date drug information, as described in previous papers. The current release includes 109 newly approved (October 2018 through March 2020) active pharmaceutical ingredients in the US, Europe, Japan and other countries; and two molecular entities (e.g. mefuparib) of interest for COVID19. New additions include a set of pharmacokinetic properties for ∼1000 drugs, and a sex-based separation of side effects, processed from FAERS (FDA Adverse Event Reporting System); as well as a drug repositioning prioritization scheme based on the market availability and intellectual property rights forFDA approved drugs. In the context of the COVID19 pandemic, we also incorporated REDIAL-2020, a machine learning platform that estimates anti-SARS-CoV-2 activities, as well as the 'drugs in news' feature offers a brief enumeration of the most interesting drugs at the present moment. The full database dump and data files are available for download from the DrugCentral web portal.

Originalsprog	Engelsk
Tidsskrift	Nucleic Acids Research
Vol/bind	49
Udgave nummer	D1
Sider (fra-til)	D1160-D1169
Antal sider	10
ISSN	0305-1048
DOI	https://doi.org/10.1093/nar/gkaa997
Status	Udgivet - 2021

Adgang til dokumentet

10.1093/nar/gkaa997Licens: CC BY

DrugCentral 2021 supports drug discovery and repositioningForlagets udgivne version, 1,28 MBLicens: CC BY

Citationsformater

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abstract = "DrugCentral is a public resource (http://drugcentral.org) that serves the scientific community by providing up-to-date drug information, as described in previous papers. The current release includes 109 newly approved (October 2018 through March 2020) active pharmaceutical ingredients in the US, Europe, Japan and other countries; and two molecular entities (e.g. mefuparib) of interest for COVID19. New additions include a set of pharmacokinetic properties for ∼1000 drugs, and a sex-based separation of side effects, processed from FAERS (FDA Adverse Event Reporting System); as well as a drug repositioning prioritization scheme based on the market availability and intellectual property rights forFDA approved drugs. In the context of the COVID19 pandemic, we also incorporated REDIAL-2020, a machine learning platform that estimates anti-SARS-CoV-2 activities, as well as the 'drugs in news' feature offers a brief enumeration of the most interesting drugs at the present moment. The full database dump and data files are available for download from the DrugCentral web portal.",

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AU - Avram, Sorin

AU - Bologa, Cristian G.

AU - Holmes, Jayme

AU - Bocci, Giovanni

AU - Wilson, Thomas B.

AU - Nguyen, Dac Trung

AU - Curpan, Ramona

AU - Halip, Liliana

AU - Bora, Alina

AU - Yang, Jeremy J.

AU - Knockel, Jeffrey

AU - Sirimulla, Suman

AU - Ursu, Oleg

AU - Oprea, Tudor I.

PY - 2021

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AB - DrugCentral is a public resource (http://drugcentral.org) that serves the scientific community by providing up-to-date drug information, as described in previous papers. The current release includes 109 newly approved (October 2018 through March 2020) active pharmaceutical ingredients in the US, Europe, Japan and other countries; and two molecular entities (e.g. mefuparib) of interest for COVID19. New additions include a set of pharmacokinetic properties for ∼1000 drugs, and a sex-based separation of side effects, processed from FAERS (FDA Adverse Event Reporting System); as well as a drug repositioning prioritization scheme based on the market availability and intellectual property rights forFDA approved drugs. In the context of the COVID19 pandemic, we also incorporated REDIAL-2020, a machine learning platform that estimates anti-SARS-CoV-2 activities, as well as the 'drugs in news' feature offers a brief enumeration of the most interesting drugs at the present moment. The full database dump and data files are available for download from the DrugCentral web portal.

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DO - 10.1093/nar/gkaa997

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