An integrated drug repurposing strategy for the rapid identification of potential SARS-CoV-2 viral inhibitors

Data sharing for novel coronavirus (COVID-19)

(2020) Vasee Moorthy et al.   BULLETIN OF THE WORLD HEALTH ORGANIZATION

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and coronavirus disease-2019 (COVID-19): The epidemic and the challenges

(2020) Chih-Cheng Lai et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

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

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

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

(2020) Renhong Yan et al.   SCIENCE

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

The outbreak of SARS-CoV-2 pneumonia calls for viral vaccines

(2020) Weilong Shang et al.   npj Vaccines

A possible strategy to fight COVID-19: Interfering with spike glycoprotein trimerization

(2020) Pietro Bongini et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Structural and Functional Basis of SARS-CoV-2 Entry by Using Human ACE2

(2020) Qihui Wang et al.   CELL

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

Trials of anti-tumour necrosis factor therapy for COVID-19 are urgently needed

(2020) Marc Feldmann et al.   LANCET

The proximal origin of SARS-CoV-2

(2020) Kristian G. Andersen et al.   NATURE MEDICINE

Rare driver mutations in head and neck squamous cell carcinomas converge on NOTCH signaling

(2020) Sampath K. Loganathan et al.   SCIENCE

Molecular Investigation of SARS–CoV-2 Proteins and Their Interactions with Antiviral Drugs

(2020) Paolo Calligari et al.   Viruses-Basel

Characterization of spike glycoprotein of SARS-CoV-2 on virus entry and its immune cross-reactivity with SARS-CoV

(2020) Xiuyuan Ou et al.   Nature Communications

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

(2020) Yadi Zhou et al.   Cell Discovery

Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease

(2020) Chunlong Ma et al.   CELL RESEARCH

Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion

(2019) Alexandra C. Walls et al.   CELL

Antiviral effects of simeprevir on multiple viruses

(2019) Zheng Li et al.   ANTIVIRAL RESEARCH

CFTR transmembrane segments are impaired in their conformational adaptability by a pathogenic loop mutation and dynamically stabilized by Lumacaftor

(2019) Georg Krainer et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The current limits in virtual screening and property prediction

(2018) Michael C Hutter   Future Medicinal Chemistry

Multisociety Consensus Quality Improvement Revised Consensus Statement for Endovascular Therapy of Acute Ischemic Stroke

(2018) David Sacks et al.   JOURNAL OF VASCULAR AND INTERVENTIONAL RADIOLOGY

Two Small Molecules Restore Stability to a Subpopulation of the Cystic Fibrosis Transmembrane Conductance Regulator with the Predominant Disease-causing Mutation

(2017) Xin Meng et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Understanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density analysis

(2017) Kandasamy Saravanan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

POVME 3.0: Software for Mapping Binding Pocket Flexibility

(2017) Jeffrey R. Wagner et al.   Journal of Chemical Theory and Computation

Quantitative structure-activity relationship and molecular docking revealed a potency of anti-hepatitis C virus drugs against human corona viruses

(2017) Abdo A. Elfiky et al.   JOURNAL OF MEDICAL VIROLOGY

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

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

PyMod 2.0: improvements in protein sequence-structure analysis and homology modeling within PyMOL

(2016) Giacomo Janson et al.   BIOINFORMATICS

AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina

(2016) Mathew R. Koebel et al.   Journal of Cheminformatics

Structure, Function, and Evolution of Coronavirus Spike Proteins

(2016) Fang Li   Annual Review of Virology

Direct anti-HCV agents

(2016) Xingquan Zhang   Acta Pharmaceutica Sinica B

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

(2014) Rolf Hilgenfeld   FEBS Journal

Virtual Screening Strategies in Drug Discovery: A Critical Review

(2013) A. Lavecchia et al.   CURRENT MEDICINAL CHEMISTRY

2,6-Bis-arylmethyloxy-5-hydroxychromones with antiviral activity against both hepatitis C virus (HCV) and SARS-associated coronavirus (SCV)

(2011) Mi Kyoung Kim et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

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

What induces pocket openings on protein surface patches involved in protein–protein interactions?

(2008) Susanne Eyrisch et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Novel paradigms for drug discovery: computational multitarget screening

(2008) E JENWITHEESUK et al.   TRENDS IN PHARMACOLOGICAL SCIENCES