(Q36403490)

14 August 2017

Potential Broad Spectrum Inhibitors of the Coronavirus 3CLpro: A Virtual Screening and Structure-Based Drug Design Study (English)

1 reference

14 August 2017

0 references

1 reference

1 reference

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26694449%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

Junaid Gamieldien

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26694449%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

Michael Berry

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26694449%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

publication date

15 December 2015

1 reference

14 August 2017

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26694449%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

volume

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26694449%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

issue

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26694449%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

page(s)

6642-6660

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26694449%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution 4.0 International

9 June 2020

start time

15 December 2015

1 reference

April 2022 Public Data File from Crossref

copyrighted

0 references

cites work

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30 September 2017

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30 September 2017

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30 September 2017

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30 September 2017

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Open Babel: An open chemical toolbox

30 September 2017

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Novel human mPGES-1 inhibitors identified through structure-based virtual screening

30 September 2017

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

30 September 2017

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Ligand supported homology modeling and docking evaluation of CCR2: docked pose selection by consensus scoring

30 September 2017

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Epidemiology and clinical presentations of the four human coronaviruses 229E, HKU1, NL63, and OC43 detected over 3 years using a novel multiplex real-time PCR method.

30 September 2017

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Mutation of Asn28 Disrupts the Dimerization and Enzymatic Activity of SARS 3CL pro

30 September 2017

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Pharmacophore modeling and applications in drug discovery: challenges and recent advances

30 September 2017

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A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking

30 September 2017

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Identification of enoxacin as an inhibitor of osteoclast formation and bone resorption by structure-based virtual screening

30 September 2017

1 reference

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Structural Basis of Inhibition Specificities of 3C and 3C-like Proteases by Zinc-coordinating and Peptidomimetic Compounds

30 September 2017

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Structure of the Main Protease from a Global Infectious Human Coronavirus, HCoV-HKU1

30 September 2017

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Structures of Two Coronavirus Main Proteases: Implications for Substrate Binding and Antiviral Drug Design

30 September 2017

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Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors

30 September 2017

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30 September 2017

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Substrate specificity profiling and identification of a new class of inhibitor for the major protease of the SARS coronavirus

30 September 2017

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30 September 2017

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Crystal structures reveal an induced-fit binding of a substrate-like Aza-peptide epoxide to SARS coronavirus main peptidase

30 September 2017

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Drug design targeting the main protease, the Achilles' heel of coronaviruses

30 September 2017

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Long-range cooperative interactions modulate dimerization in SARS 3CLpro.

30 September 2017

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Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor

30 September 2017

1 reference

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Coronavirus HKU1 and other coronavirus infections in Hong Kong

30 September 2017

1 reference

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Genetic variability of human coronavirus OC43-, 229E-, and NL63-like strains and their association with lower respiratory tract infections of hospitalized infants and immunocompromised patients

30 September 2017

1 reference

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Design of wide-spectrum inhibitors targeting coronavirus main proteases

30 September 2017

1 reference

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Croup is associated with the novel coronavirus NL63

30 September 2017

1 reference

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Virtual screening of chemical libraries

30 September 2017

1 reference

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High-throughput docking as a source of novel drug leads

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Discovery of diverse thyroid hormone receptor antagonists by high-throughput docking

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Coronavirus main proteinase (3CLpro) structure: basis for design of anti-SARS drugs

30 September 2017

1 reference

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An outbreak of coronavirus OC43 respiratory infection in Normandy, France

30 September 2017

1 reference

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Structure-based virtual screening: an overview

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

30 September 2017

1 reference

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Virus-encoded proteinases and proteolytic processing in the Nidovirales.

30 September 2017

1 reference

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A large scale virtual screen of DprE1.

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Virtual screening of novel reversible inhibitors for marine alkaline protease MP.

30 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Dual inhibitors of Janus kinase 2 and 3 (JAK2/3): designing by pharmacophore- and docking-based virtual screening approach.

28 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Consensus docking: improving the reliability of docking in a virtual screening context

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Synthesis, docking studies, and evaluation of pyrimidines as inhibitors of SARS-CoV 3CL protease

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Human coronavirus and acute respiratory illness in older adults with chronic obstructive pulmonary disease.

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Insight into the activity of SARS main protease: Molecular dynamics study of dimeric and monomeric form of enzyme.

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease.

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Design and synthesis of dipeptidyl glutaminyl fluoromethyl ketones as potent severe acute respiratory syndrome coronovirus (SARS-CoV) inhibitors

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

The N-terminal octapeptide acts as a dimerization inhibitor of SARS coronavirus 3C-like proteinase.

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Clinical and molecular epidemiological features of coronavirus HKU1-associated community-acquired pneumonia

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Inhibition of the severe acute respiratory syndrome 3CL protease by peptidomimetic alpha,beta-unsaturated esters

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

The interaction between severe acute respiratory syndrome coronavirus 3C-like proteinase and a dimeric inhibitor by capillary electrophoresis

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Mechanism of the maturation process of SARS-CoV 3CL protease

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Coronaviruses in the limelight

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Protein flexibility in ligand docking and virtual screening to protein kinases.

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Coronavirus 229E-related pneumonia in immunocompromised patients

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Conservation of substrate specificities among coronavirus main proteases

21 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4690886

Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

21 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26694449

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Scaffold hopping through virtual screening using 2D and 3D similarity descriptors: ranking, voting, and consensus scoring

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26694449

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.3390/V7122963

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26694449%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26694449%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

PubMed publication ID

26694449

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26694449%20AND%20SRC:MED&resulttype=core&format=json