Drug discovery data

Published Data

Data available from research groups in Sweden

The list of available data on this Portal was curated manually until February 2022. After February 2022, we instead began to use a script to query the Europe PMC database (making use of their API) in order to locate relevant publications. We only include data from publications about COVID-19/SARS-CoV-2 that BOTH involve at least one author affiliated with a Swedish research institution AND openly share reusable data and/or code. The code used for the query is written in Python and, as with all of our code, it is openly available in GitHub. We welcome others to reuse it and to repurpose it for other pathogens.

The lists of available data may not be exhaustive as the script used to generate it does not search for every possible database/repository. If you find that a dataset is missing, or that the information related to it is incorrect, please get in touch with us

Last updated: 2024-03-04

Data types

All data types (273)

Biochemistry data (34)

Drug discovery data (15)

Genomics & transcriptomics data (82)

Public health data (65)

Serology data (21)

Social science and humanities data (62)

Publication	Available dataset and code
Identification of essential genes associated with SARS-CoV-2 infection as potential drug target candidates with machine learning algorithms Taheri G., Habibi M. (2023) Springer Science and Business Media LLC DOI: 10.1038/s41598-023-42127-9	Unsupervised learning methods to Identify essential genes associated with SARS-CoV-2 data GitHub Unsupervised learning methods to Identify essential genes associated with SARS-CoV-2 code GitHub
The screening and evaluation of potential clinically significant HIV drug combinations against the SARS-CoV-2 virus Tomić D., Davidović D., Szasz A. M., Rezeli M., et al (2022) Elsevier BV DOI: 10.1016/j.imu.2021.100529	Results of the efficacy of FDA approved antiviral drugs on SARS-CoV-2 spike glycoprotein. data The Vini in silico model of cancer. code GitHub
Network Crosstalk as a Basis for Drug Repurposing Guala D., Sonnhammer E. L. L. (2022) Frontiers Media SA DOI: 10.3389/fgene.2022.792090	Dataset used to to assess cross-talk based approaches for drug repurposing code BitBucket Code used for analysis data BitBucket
Molecular mechanism of inhibiting the SARS-CoV-2 cell entry facilitator TMPRSS2 with camostat and nafamostat Hempel T., Raich L., Olsson S., Azouz N. P., et al (2022) Royal Society of Chemistry (RSC) DOI: 10.1039/d0sc05064d	Structural ensembles of camostat, GBPA, and nafamostat code GitHub
Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses Luttens A., Gullberg H., Abdurakhmanov E., Vo D. D., et al (2022) American Chemical Society (ACS) DOI: 10.1021/jacs.1c08402	Information on methods, data on chemical structures and assay data data Figshare
An in silico analysis identifies drugs potentially modulating the cytokine storm triggered by SARS-CoV-2 infection Sanchez-Burgos L., Gómez-López G., Al-Shahrour F., Fernandez-Capetillo O. (2022) Springer Science and Business Media LLC DOI: 10.1038/s41598-022-05597-x	Expression profiling by array data Gene Expression Omnibus: GSE63229 Genome binding/occupancy profiling by high throughput sequencing data Gene Expression Omnibus: GSE123574
Structure-guided glyco-engineering of ACE2 for improved potency as soluble SARS-CoV-2 decoy receptor Capraz T., Kienzl N. F., Laurent E., Perthold J. W., et al (2021) eLife Sciences Publications, Ltd DOI: 10.7554/eLife.73641	Molecular models and simulation trajectories data Drug targeting modalities for COVID-19 drug discovery data
Drug repurposing improves disease targeting 11-fold and can be augmented by network module targeting, applied to COVID-19 Rivero-García I., Castresana-Aguirre M., Guglielmo L., Guala D., et al (2021) Springer Science and Business Media LLC DOI: 10.1038/s41598-021-99721-y	Raw and processed data available in Bitbucket data Code for data processing and figure reproduction available in Bitbucket code
A phenomics approach for antiviral drug discovery Rietdijk J., Tampere M., Pettke A., Georgiev P., et al (2021) Springer Science and Business Media LLC DOI: 10.1186/s12915-021-01086-1	Data analysis code. code GitHub Images, analysis pipelines, and feature data. data Figshare
Topological network based drug repurposing for coronavirus 2019 Habibi M., Taheri G. (2021) Public Library of Science (PLoS) DOI: 10.1371/journal.pone.0255270	Information on interactions between proteins & human cells, potential drug targets, genes related to potential targets. data GitHub Matlab analysis code required to process data. code GitHub
Blue Biotechnology: Computational Screening of Sarcophyton Cembranoid Diterpenes for SARS-CoV-2 Main Protease Inhibition Ibrahim M. A. A., Abdelrahman A. H. M., Atia M. A. M., Mohamed T. A., et al (2021) MDPI AG DOI: 10.3390/md19070391	All data are included in the article or supplementary material (Sarcophyton cembranoid diterpenes metabolites). data
Efficacy and tolerability of bevacizumab in patients with severe Covid-19 Pang J., Xu F., Aondio G., Li Y., et al (2021) Springer Science and Business Media LLC DOI: 10.1038/s41467-021-21085-8	Raw data with demographic and clinical characteristics of the patients, progress of treatment and control groups. data Figshare All relevant codes used in SAS software for statistical analysis. code Figshare
SARS-CoV-2 spike glycoprotein vaccine candidate NVX-CoV2373 immunogenicity in baboons and protection in mice Tian J., Patel N., Haupt R., Zhou H., et al (2021) Springer Science and Business Media LLC DOI: 10.1038/s41467-020-20653-8	Source data behind study. data
Risk of depression, suicide and psychosis with hydroxychloroquine treatment for rheumatoid arthritis: a multinational network cohort study Lane J. C. E., Weaver J., Kostka K., Duarte-Salles T., et al (2020) Oxford University Press (OUP) DOI: 10.1093/rheumatology/keaa771	Study protocol and analysis source code code GitHub Analysis tools used in study code GitHub Data and results artefacts that do not include patient-level health information data
Novel Broad-Spectrum Antiviral Inhibitors Targeting Host Factors Essential for Replication of Pathogenic RNA Viruses Tampere M., Pettke A., Salata C., Wallner O., et al (2020) MDPI AG DOI: 10.3390/v12121423	Thermal Proteome Profiling dataset from Hazara virus infected SW13 cells treated with DMSO or antiviral inhibitor 20 µM TH6744 data Figshare Antiviral screening; Dose-response treatment of TH6744 and TH3289; List of proteins from 2D-TPP analysis in U87 cells (FDR); List of proteins from 2D-TPP analysis in U87 cells (Fold-change); Uniprot annotation of overlapping TPP-TR and 2D-TPP hits data Raw mass spectrometry data data ProteomeXchange Consortium: PXD021494