Drugs repurposed for COVID-19 by virtual screening of 6,218 drugs and cell-based assay

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

(2020) Manli Wang et al.   CELL RESEARCH

A new coronavirus associated with human respiratory disease in China

(2020) Fan Wu et al.   NATURE

A pneumonia outbreak associated with a new coronavirus of probable bat origin

(2020) Peng Zhou et al.   NATURE

Identification of antiviral drug candidates against SARS-CoV-2 from FDA-approved drugs

(2020) Sangeun Jeon et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Why Are Lopinavir and Ritonavir Effective against the Newly Emerged Coronavirus 2019? Atomistic Insights into the Inhibitory Mechanisms

(2020) Bodee Nutho et al.   BIOCHEMISTRY

SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor

(2020) Markus Hoffmann et al.   CELL

Boosting the arsenal against COVID-19 through computational drug repurposing

(2020) Gennaro Ciliberto et al.   DRUG DISCOVERY TODAY

Mechanism of baricitinib supports artificial intelligence‐predicted testing in COVID‐19 patients

(2020) Justin Stebbing et al.   EMBO Molecular Medicine

Remdesivir is a direct-acting antiviral that inhibits RNA-dependent RNA polymerase from severe acute respiratory syndrome coronavirus 2 with high potency

(2020) Calvin J. Gordon et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Remdesivir in adults with severe COVID-19: a randomised, double-blind, placebo-controlled, multicentre trial

(2020) Yeming Wang et al.   LANCET

An open-source drug discovery platform enables ultra-large virtual screens

(2020) Christoph Gorgulla et al.   NATURE

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

(2020) Zhenming Jin et al.   NATURE

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

SynergyFinder 2.0: visual analytics of multi-drug combination synergies

(2020) Aleksandr Ianevski et al.   NUCLEIC ACIDS RESEARCH

Structure of the RNA-dependent RNA polymerase from COVID-19 virus

(2020) Yan Gao et al.   SCIENCE

Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors

(2020) Linlin Zhang et al.   SCIENCE

Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir

(2020) Wanchao Yin et al.   SCIENCE

Clinical efficacy of hydroxychloroquine in patients with covid-19 pneumonia who require oxygen: observational comparative study using routine care data

(2020) Matthieu Mahévas et al.   BMJ-British Medical Journal

Pulmonary fibrosis and COVID-19: the potential role for antifibrotic therapy

(2020) Peter M George et al.   Lancet Respiratory Medicine

Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants

(2020) Muhammad Tahir ul Qamar et al.   Journal of Pharmaceutical Analysis

Remdesivir, lopinavir, emetine, and homoharringtonine inhibit SARS-CoV-2 replication in vitro

(2020) Ka-Tim Choy et al.   ANTIVIRAL RESEARCH

Screening of Therapeutic Agents for COVID-19 Using Machine Learning and Ensemble Docking Studies

(2020) Rohit Batra et al.   Journal of Physical Chemistry Letters

Growth factor receptor signaling inhibition prevents SARS-CoV-2 replication

(2020) Kevin Klann et al.   MOLECULAR CELL

Clinical benefit of remdesivir in rhesus macaques infected with SARS-CoV-2

(2020) Brandi N. Williamson et al.   NATURE

Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity

(2020) Donghyuk Shin et al.   NATURE

Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages

(2020) Natesh Singh et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Favipiravir at high doses has potent antiviral activity in SARS-CoV-2−infected hamsters, whereas hydroxychloroquine lacks activity

(2020) Suzanne J. F. Kaptein et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Second wave COVID-19 pandemics in Europe: a temporal playbook

(2020) Giacomo Cacciapaglia et al.   Scientific Reports

A randomised, placebo-controlled study of omipalisib (PI3K/mTOR) in idiopathic pulmonary fibrosis

(2019) Pauline T. Lukey et al.   EUROPEAN RESPIRATORY JOURNAL

Mechanism of Inhibition of Ebola Virus RNA-Dependent RNA Polymerase by Remdesivir

(2019) Egor Tchesnokov et al.   Viruses-Basel

DrugBank 5.0: a major update to the DrugBank database for 2018

(2017) David S Wishart et al.   NUCLEIC ACIDS RESEARCH

Quantifying antiviral activity optimizes drug combinations against hepatitis C virus infection

(2017) Yoshiki Koizumi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Broad-spectrum antiviral GS-5734 inhibits both epidemic and zoonotic coronaviruses

(2017) Timothy P. Sheahan et al.   Science Translational Medicine

The ChEMBL database in 2017

(2016) Anna Gaulton et al.   NUCLEIC ACIDS RESEARCH

A survey of current trends in computational drug repositioning

(2015) Jiao Li et al.   BRIEFINGS IN BIOINFORMATICS

First-in-Human Phase I Study of GSK2126458, an Oral Pan-Class I Phosphatidylinositol-3-Kinase Inhibitor, in Patients with Advanced Solid Tumor Malignancies

(2015) P. Munster et al.   CLINICAL CANCER RESEARCH

ZINC 15 – Ligand Discovery for Everyone

(2015) Teague Sterling et al.   Journal of Chemical Information and Modeling

PLIP: fully automated protein–ligand interaction profiler

(2015) Sebastian Salentin et al.   NUCLEIC ACIDS RESEARCH

Profile of blonanserin for the treatment of schizophrenia

(2013) Tomomi Tenjin et al.   Neuropsychiatric Disease and Treatment

A quantitative basis for antiretroviral therapy for HIV-1 infection

(2012) Benjamin L Jilek et al.   NATURE MEDICINE

Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin

(2010) Steven D. Knight et al.   ACS Medicinal Chemistry Letters

A novel method for determining the inhibitory potential of anti-HIV drugs

(2009) Lin Shen et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Evaluating the 3C-like protease activity of SARS-Coronavirus: Recommendations for standardized assays for drug discovery

(2007) Valerie Grum-Tokars et al.   VIRUS RESEARCH