Title
DrugCentral 2021 supports drug discovery and repositioning
Publication Date
1-8-2021
Publication Name
Nucleic Acids Research
Document Type
Article
Volume
49
Issue
D1
First Page
D1160
Last Page
D1169
DOI
10.1093/nar/gkaa997
Abstract
© 2021 The Author(s) 2020. Published by Oxford University Press on behalf of Nucleic Acids Research. 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.