Montelukast is a dual-purpose inhibitor of SARS-CoV-2 infection and virus-induced IL-6 expression identified by structure-based drug repurposing

COVID-19 and the human innate immune system

(2021) Joachim L. Schultze et al.   CELL

Interleukin-6 Receptor Inhibition in Covid-19 — Cooling the Inflammatory Soup

(2021) Eric J. Rubin et al.   NEW ENGLAND JOURNAL OF MEDICINE

Dipyridamole, chloroquine, montelukast sodium, candesartan, oxytetracycline, and atazanavir are not SARS-CoV-2 main protease inhibitors

(2021) Chunlong Ma et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Multilevel proteomics reveals host perturbations by SARS-CoV-2 and SARS-CoV

(2021) Alexey Stukalov et al.   NATURE

Comprehensive Consensus Analysis of SARS-CoV-2 Drug Repurposing Campaigns

(2021) Hazem Mslati et al.   Journal of Chemical Information and Modeling

SARS-CoV-2-specific hotspots in virus–host interaction networks

(2021) Herbert B. Schiller et al.   NATURE IMMUNOLOGY

SARS-CoV-2 variants, spike mutations and immune escape

(2021) William T. Harvey et al.   NATURE REVIEWS MICROBIOLOGY

Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2

(2021) Tia A. Tummino et al.   SCIENCE

A high-throughput screen for TMPRSS2 expression identifies FDA-approved compounds that can limit SARS-CoV-2 entry

(2021) Yanwen Chen et al.   Nature Communications

Structural basis for the recognition of the SARS-CoV-2 by full-length human ACE2

(2020) Renhong Yan et al.   SCIENCE

Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation

(2020) Daniel Wrapp et al.   SCIENCE

Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein

(2020) Alexandra C. Walls et al.   CELL

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

Probable Pangolin Origin of SARS-CoV-2 Associated with the COVID-19 Outbreak

(2020) Tao Zhang et al.   CURRENT BIOLOGY

In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel

(2020) Manoj Kumar Gupta et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Baricitinib for COVID-19: a suitable treatment?

(2020) Ennio G Favalli et al.   LANCET INFECTIOUS DISEASES

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

(2020) Christoph Gorgulla et al.   NATURE

Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor

(2020) Jun Lan et al.   NATURE

Severe Covid-19

(2020) David A. Berlin et al.   NEW ENGLAND JOURNAL OF MEDICINE

Compassionate Use of Remdesivir for Patients with Severe Covid-19

(2020) Jonathan Grein et al.   NEW ENGLAND JOURNAL OF MEDICINE

Cell entry mechanisms of SARS-CoV-2

(2020) Jian Shang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A human monoclonal antibody blocking SARS-CoV-2 infection

(2020) Chunyan Wang et al.   Nature Communications

A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease

(2020) Donald C. Hall et al.   Travel Medicine and Infectious Disease

Network-based drug repurposing for novel coronavirus 2019-nCoV/SARS-CoV-2

(2020) Yadi Zhou et al.   Cell Discovery

Clinical and Epidemiological Features of a Family Cluster of Symptomatic and Asymptomatic SARS-CoV-2 Infection

(2020) Gerhard K Wolf et al.   Journal of the Pediatric Infectious Diseases Society

The FDA-approved drug ivermectin inhibits the replication of SARS-CoV-2 in vitro

(2020) Leon Caly et al.   ANTIVIRAL RESEARCH

Longitudinal analyses reveal immunological misfiring in severe COVID-19

(2020) Carolina Lucas et al.   NATURE

Distinct conformational states of SARS-CoV-2 spike protein

(2020) Yongfei Cai et al.   SCIENCE

Exploring the SARS-CoV-2 virus-host-drug interactome for drug repurposing

(2020) Sepideh Sadegh et al.   Nature Communications

Proteolytic Cleavage of the SARS-CoV-2 Spike Protein and the Role of the Novel S1/S2 Site

(2020) Javier A. Jaimes et al.   iScience

COVID-19 vaccine BNT162b1 elicits human antibody and TH1 T cell responses

(2020) Ugur Sahin et al.   NATURE

A dynamic COVID-19 immune signature includes associations with poor prognosis

(2020) Adam G. Laing et al.   NATURE MEDICINE

A Global Ramachandran Score Identifies Protein Structures with Unlikely Stereochemistry

(2020) Oleg V. Sobolev et al.   STRUCTURE

Drug ReposER: a web server for predicting similar amino acid arrangements to known drug binding interfaces for potential drug repositioning

(2019) Nur Syatila Ab Ghani et al.   NUCLEIC ACIDS RESEARCH

SWISS-MODEL: homology modelling of protein structures and complexes

(2018) Andrew Waterhouse et al.   NUCLEIC ACIDS RESEARCH

Drug repurposing: progress, challenges and recommendations

(2018) Sudeep Pushpakom et al.   NATURE REVIEWS DRUG DISCOVERY

PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins

(2015) Hiba Abi Hussein et al.   NUCLEIC ACIDS RESEARCH

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Cysteinyl Leukotriene Receptor-1 Antagonists as Modulators of Innate Immune Cell Function

(2014) A. J. Theron et al.   Journal of Immunology Research

Drug Promiscuity in PDB: Protein Binding Site Similarity Is Key

(2013) V. Joachim Haupt et al.   PLoS One

Improving the Physical Realism and Structural Accuracy of Protein Models by a Two-Step Atomic-Level Energy Minimization

(2011) Dong Xu et al.   BIOPHYSICAL JOURNAL

SwissParam: A fast force field generation tool for small organic molecules

(2011) Vincent Zoete et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Automated minimization of steric clashes in protein structures

(2010) Srinivas Ramachandran et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Clinical Pharmacokinetics and Pharmacodynamics of Tigecycline

(2009) April Barbour et al.   CLINICAL PHARMACOKINETICS

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Absorption of montelukast is transporter mediated: a common variant of OATP2B1 is associated with reduced plasma concentrations and poor response

(2009) Edward B. Mougey et al.   Pharmacogenetics and Genomics