Synergistic and Antagonistic Drug Combinations against SARS-CoV-2

Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro

(2020) Manli Wang et al.   CELL RESEARCH

Arbidol: A potential antiviral drug for the treatment of SARS-CoV-2 by blocking trimerization of the spike glycoprotein

(2020) Naveen Vankadari   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Triple combination of interferon beta-1b, lopinavir–ritonavir, and ribavirin in the treatment of patients admitted to hospital with COVID-19: an open-label, randomised, phase 2 trial

(2020) Ivan Fan-Ngai Hung et al.   LANCET

A SARS-CoV-2 protein interaction map reveals targets for drug repurposing

(2020) David E. Gordon et al.   NATURE

Drug antagonism and single-agent dominance result from differences in death kinetics

(2020) Ryan Richards et al.   Nature Chemical Biology

Remdesivir for the Treatment of Covid-19 — Preliminary Report

(2020) John H. Beigel et al.   NEW ENGLAND JOURNAL OF MEDICINE

A Trial of Lopinavir–Ritonavir in Adults Hospitalized with Severe Covid-19

(2020) Bin Cao et al.   NEW ENGLAND JOURNAL OF MEDICINE

Chloroquine and hydroxychloroquine in covid-19

(2020) Robin E Ferner et al.   BMJ-British Medical Journal

Remdesivir: A Review of Its Discovery and Development Leading to Emergency Use Authorization for Treatment of COVID-19

(2020) Richard T. Eastman et al.   ACS Central Science

QSAR modeling of SARS‐CoV Mpro inhibitors identifies Sufugolix, Cenicriviroc, Proglumetacin and other drugs as candidates for repurposing against SARS‐CoV‐2

(2020) Vinicius Alves et al.   Molecular Informatics

Discovery of SARS-CoV-2 antiviral drugs through large-scale compound repurposing

(2020) Laura Riva et al.   NATURE

Characterisation of the transcriptome and proteome of SARS-CoV-2 reveals a cell passage induced in-frame deletion of the furin-like cleavage site from the spike glycoprotein

(2020) Andrew D. Davidson et al.   Genome Medicine

SARS-CoV-2 growth, furin-cleavage-site adaptation and neutralization using serum from acutely infected hospitalized COVID-19 patients

(2020) William B. Klimstra et al.   JOURNAL OF GENERAL VIROLOGY

Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen

(2019) Michael P. Menden et al.   Nature Communications

ROBOKOP: an abstraction layer and user interface for knowledge graphs to support question answering

(2019) Kenneth Morton et al.   BIOINFORMATICS

Novel Consensus Architecture To Improve Performance of Large-Scale Multitask Deep Learning QSAR Models

(2019) Alexey V. Zakharov et al.   Journal of Chemical Information and Modeling

ROBOKOP KG and KGB: Integrated Knowledge Graphs from Federated Sources

(2019) Chris Bizon et al.   Journal of Chemical Information and Modeling

Chemotext: A Publicly Available Web Server for Mining Drug–Target–Disease Relationships in PubMed

(2018) Stephen J. Capuzzi et al.   Journal of Chemical Information and Modeling

The Biomedical Data Translator Program: Conception, Culture, and Community

(2018)   CTS-Clinical and Translational Science

Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectives

(2016) Krishna C. Bulusu et al.   DRUG DISCOVERY TODAY

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation

(2016) Denis Fourches et al.   Journal of Chemical Information and Modeling

QSAR Modeling and Prediction of Drug–Drug Interactions

(2016) Alexey V. Zakharov et al.   MOLECULAR PHARMACEUTICS

Nitazoxanide, a new drug candidate for the treatment of Middle East respiratory syndrome coronavirus

(2016) Jean-François Rossignol   Journal of Infection and Public Health

Curation of chemogenomics data

(2015) Denis Fourches et al.   Nature Chemical Biology

Metabolism and Pharmacokinetics of the Anti-Hepatitis C Virus Nucleotide Prodrug GS-6620

(2014) Eisuke Murakami et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Pharmacokinetics, Metabolism, and Excretion of the Antiviral Drug Arbidol in Humans

(2013) Pan Deng et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

QSAR Modeling: Where Have You Been? Where Are You Going To?

(2013) Artem Cherkasov et al.   JOURNAL OF MEDICINAL CHEMISTRY

High-Throughput Methods for Combinatorial Drug Discovery

(2013) X. Sun et al.   Science Translational Medicine

Existing and Developing Approaches for QSAR Analysis of Mixtures

(2012) Eugene N. Muratov et al.   Molecular Informatics

Niclosamide Is a Proton Carrier and Targets Acidic Endosomes with Broad Antiviral Effects

(2012) Andreas Jurgeit et al.   PLoS Pathogens

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

(2010) Denis Fourches et al.   Journal of Chemical Information and Modeling

The Hepatitis C Virus (HCV) NS4B RNA Binding Inhibitor Clemizole Is Highly Synergistic with HCV Protease Inhibitors

(2010) Shirit Einav et al.   JOURNAL OF INFECTIOUS DISEASES

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics