Main Protease Inhibitors and Drug Surface Hotspots for the Treatment of COVID-19: A Drug Repurposing and Molecular Docking Approach

Processing of the SARS-CoV pp1a/ab nsp7-10 region

(2020) Boris Krichel et al.   BIOCHEMICAL JOURNAL

Chloroquine and hydroxychloroquine as available weapons to fight COVID-19

(2020) Philippe Colson et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Genomic variance of the 2019‐nCoV coronavirus

(2020) Carmine Ceraolo et al.   JOURNAL OF MEDICAL VIROLOGY

α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment

(2020) Linlin Zhang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Receptor recognition by novel coronavirus from Wuhan: An analysis based on decade-long structural studies of SARS

(2020) Yushun Wan et al.   JOURNAL OF VIROLOGY

Epidemiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive study

(2020) Nanshan Chen et al.   LANCET

Clinical features of patients infected with 2019 novel coronavirus in Wuhan, China

(2020) Chaolin Huang et al.   LANCET

Can we contain the COVID-19 outbreak with the same measures as for SARS?

(2020) Annelies Wilder-Smith et al.   LANCET INFECTIOUS DISEASES

Therapeutic options for the 2019 novel coronavirus (2019-nCoV)

(2020) Guangdi Li et al.   NATURE REVIEWS DRUG DISCOVERY

A Novel Coronavirus Emerging in China — Key Questions for Impact Assessment

(2020) Vincent J. Munster et al.   NEW ENGLAND JOURNAL OF MEDICINE

Remdesivir as a possible therapeutic option for the COVID-19

(2020) Jaffar A. Al-Tawfiq et al.   Travel Medicine and Infectious Disease

Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods

(2020) Canrong Wu et al.   Acta Pharmaceutica Sinica B

Expanding our understanding of the role polyprotein conformation plays in the coronavirus life cycle

(2020) Samantha Gildenhuys   BIOCHEMICAL JOURNAL

Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion

(2020) Shuai Xia et al.   CELL RESEARCH

Identification of a novel coronavirus causing severe pneumonia in human

(2020) Li-Li Ren et al.   CHINESE MEDICAL JOURNAL

COVID-19: a recommendation to examine the effect of hydroxychloroquine in preventing infection and progression

(2020) Dan Zhou et al.   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY

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

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

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

(2020) Linlin Zhang et al.   SCIENCE

SARS-CoV-2 and COVID-19: The most important research questions

(2020) Kit-San Yuen et al.   Cell and Bioscience

Identification of potential binders of the main protease 3CLpro of the COVID-19 via structure-based ligand design and molecular modeling

(2020) Marina Macchiagodena et al.   CHEMICAL PHYSICS LETTERS

Ligand and structure-based virtual screening applied to the SARS-CoV-2 main protease: an in silico repurposing study

(2020) Witor Ribeiro Ferraz et al.   Future Medicinal Chemistry

Drug discovery strategies for SARS-CoV-2

(2020) Zeenat A Shyr et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

In silico Drug Repurposing for COVID‐19: Targeting SARS‐CoV‐2 Proteins through Docking and Consensus Ranking

(2020) Claudio Cavasotto et al.   Molecular Informatics

A Computational Approach to Identify Potential Novel Inhibitors against the Coronavirus SARS‐CoV‐2

(2020) Verena Battisti et al.   Molecular Informatics

In vitro screening of a FDA approved chemical library reveals potential inhibitors of SARS-CoV-2 replication

(2020) Franck Touret et al.   Scientific Reports

The SARS-CoV-2 main protease as drug target

(2020) Sven Ullrich et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Repurposing approved drugs as potential inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and structure based drug design

(2020) Franz-Josef Meyer-Almes   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Functional and druggability analysis of the SARS-CoV-2 proteome

(2020) Claudio N. Cavasotto et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

The EMBL-EBI search and sequence analysis tools APIs in 2019

(2019) Fábio Madeira et al.   NUCLEIC ACIDS RESEARCH

Computational Approaches for Drug Discovery

(2019) Brogi   MOLECULES

LARMD: integration of bioinformatic resources to profile ligand-driven protein dynamics with a case on the activation of estrogen receptor

(2019) Jing-Fang Yang et al.   BRIEFINGS IN BIOINFORMATICS

Efficacy of Glecaprevir/Pibrentasvir for 8 or 12 Weeks in Patients With Hepatitis C Virus Genotype 2, 4, 5, or 6 Infection Without Cirrhosis

(2018) Tarik Asselah et al.   Clinical Gastroenterology and Hepatology

Hot-spot analysis for drug discovery targeting protein-protein interactions

(2018) Mireia Rosell et al.   Expert Opinion on Drug Discovery

Glecaprevir/Pibrentasvir Treatment in Liver or Kidney Transplant Patients With Hepatitis C Virus Infection

(2018) Nancy Reau et al.   HEPATOLOGY

Screening of FDA-Approved Drugs for Inhibitors of Japanese Encephalitis Virus Infection

(2017) Shaobo Wang et al.   JOURNAL OF VIROLOGY

Proteases and protease inhibitors in infectious diseases

(2017) Ayodeji A. Agbowuro et al.   MEDICINAL RESEARCH REVIEWS

Glecaprevir and Pibrentasvir in Patients with HCV and Severe Renal Impairment

(2017) Edward Gane et al.   NEW ENGLAND JOURNAL OF MEDICINE

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

Pharmacokinetics and tolerability of paritaprevir, a direct acting antiviral agent for hepatitis C virus treatment, with and without ritonavir in healthy volunteers

(2016) R. M. Menon et al.   BRITISH JOURNAL OF CLINICAL PHARMACOLOGY

Population pharmacokinetics of paritaprevir, ombitasvir, dasabuvir, ritonavir and ribavirin in hepatitis C virus genotype 1 infection: analysis of six phase III trials

(2016) Sven Mensing et al.   BRITISH JOURNAL OF CLINICAL PHARMACOLOGY

A Screen of FDA-Approved Drugs for Inhibitors of Zika Virus Infection

(2016) Nicholas J. Barrows et al.   Cell Host & Microbe

A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules

(2016) Antoine Daina et al.   ChemMedChem

Two variants of the major serine protease inhibitor from the sea anemone Stichodactyla helianthus, expressed in Pichia pastoris

(2016) Rossana García-Fernández et al.   PROTEIN EXPRESSION AND PURIFICATION

Function-specific virtual screening for GPCR ligands using a combined scoring method

(2016) Albert J. Kooistra et al.   Scientific Reports

Role of tipranavir in treatment of patients with multidrug-resistant HIV

(2016) Juan Salazar et al.   Therapeutics and Clinical Risk Management

Ombitasvir, Paritaprevir Co-dosed With Ritonavir, Dasabuvir, and Ribavirin for Hepatitis C in Patients Co-infected With HIV-1

(2015) Mark S. Sulkowski et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

Interaction of α-cyperone with human serum albumin: Determination of the binding site by using Discovery Studio and via spectroscopic methods

(2015) Qing Wang et al.   JOURNAL OF LUMINESCENCE

Generation of a Transgenic Mouse Model of Middle East Respiratory Syndrome Coronavirus Infection and Disease

(2015) Anurodh Shankar Agrawal et al.   JOURNAL OF VIROLOGY

Database resources of the National Center for Biotechnology Information

(2015)   NUCLEIC ACIDS RESEARCH

Evaluation of Ebola Virus Inhibitors for Drug Repurposing

(2015) Peter B. Madrid et al.   ACS Infectious Diseases

Screening of an FDA-Approved Compound Library Identifies Four Small-Molecule Inhibitors of Middle East Respiratory Syndrome Coronavirus Replication in Cell Culture

(2014) Adriaan H. de Wilde et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Simeprevir (TMC435) With Pegylated Interferon/Ribavirin in Patients Coinfected With HCV Genotype 1 and HIV-1: A Phase 3 Study

(2014) Douglas Dieterich et al.   CLINICAL INFECTIOUS DISEASES

Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances

(2014) Evanthia Lionta et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

From SARS to MERS: crystallographic studies on coronaviral proteases enable antiviral drug design

(2014) Rolf Hilgenfeld   FEBS Journal

Ribavirin and interferon alfa-2a for severe Middle East respiratory syndrome coronavirus infection: a retrospective cohort study

(2014) Ali S Omrani et al.   LANCET INFECTIOUS DISEASES

Phase 2b Trial of Interferon-free Therapy for Hepatitis C Virus Genotype 1

(2014) Kris V. Kowdley et al.   NEW ENGLAND JOURNAL OF MEDICINE

ABT-450/r–Ombitasvir and Dasabuvir with Ribavirin for Hepatitis C with Cirrhosis

(2014) Fred Poordad et al.   NEW ENGLAND JOURNAL OF MEDICINE

Rapid generation of a mouse model for Middle East respiratory syndrome

(2014) Jincun Zhao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The influence of lipophilicity in drug discovery and design

(2012) John A Arnott et al.   Expert Opinion on Drug Discovery

Ready, Set, Fuse! The Coronavirus Spike Protein and Acquisition of Fusion Competence

(2012) Taylor Heald-Sargent et al.   Viruses-Basel

Mechanisms of Coronavirus Cell Entry Mediated by the Viral Spike Protein

(2012) Sandrine Belouzard et al.   Viruses-Basel

LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

(2011) Roman A. Laskowski et al.   Journal of Chemical Information and Modeling

Comparative Studies on Retroviral Proteases: Substrate Specificity

(2010) József Tözsér   Viruses-Basel

Jalview Version 2--a multiple sequence alignment editor and analysis workbench

(2009) A. M. Waterhouse et al.   BIOINFORMATICS

Automated Docking Screens: A Feasibility Study

(2009) John J. Irwin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Unbiased probing of the entire hepatitis C virus life cycle identifies clinical compounds that target multiple aspects of the infection

(2009) P. Gastaminza et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Molecular dynamic simulations analysis of ritronavir and lopinavir as SARS-CoV 3CLpro inhibitors

(2008) Veena Nukoolkarn et al.   JOURNAL OF THEORETICAL BIOLOGY

Class-Sparing Regimens for Initial Treatment of HIV-1 Infection

(2008) Sharon A. Riddler et al.   NEW ENGLAND JOURNAL OF MEDICINE