(Q38728233)

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Computational modeling of the bat HKU4 coronavirus 3CL(pro) inhibitors as a tool for the development of antivirals against the emerging Middle East respiratory syndrome (MERS) coronavirus

scientific article published on 13 June 2017

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scholarly article

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Europe PubMed Central

PubMed publication ID

5 September 2017

Computational modeling of the bat HKU4 coronavirus 3CL(pro) inhibitors as a tool for the development of antivirals against the emerging Middle East respiratory syndrome (MERS) coronavirus (English)

1 reference

Europe PubMed Central

PubMed publication ID

5 September 2017

Middle East respiratory syndrome coronavirus

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Middle East respiratory syndrome

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Areej Abuhammad

1

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28608547%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

Mutasem O. Taha

5

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31 May 2020

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Rua'a A Al-Aqtash

2

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28608547%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

Brandon J Anson

3

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Europe PubMed Central

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31 May 2020

Andrew D Mesecar

4

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31 May 2020

publication date

13 June 2017

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5 September 2017

Journal of Molecular Recognition

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31 May 2020

30

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31 May 2020

11

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31 May 2020

Coronaviruses: important emerging human pathogens

1 reference

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21 January 2018

Isolation of a novel coronavirus from a man with pneumonia in Saudi Arabia

1 reference

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21 January 2018

Bat origins of MERS-CoV supported by bat coronavirus HKU4 usage of human receptor CD26

1 reference

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21 January 2018

Receptor usage and cell entry of bat coronavirus HKU4 provide insight into bat-to-human transmission of MERS coronavirus

1 reference

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21 January 2018

Bat-to-human: spike features determining 'host jump' of coronaviruses SARS-CoV, MERS-CoV, and beyond

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21 January 2018

Bats as reservoirs of severe emerging infectious diseases

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21 January 2018

Human infection with MERS coronavirus after exposure to infected camels, Saudi Arabia, 2013.

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21 January 2018

Evidence for camel-to-human transmission of MERS coronavirus

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21 January 2018

Current advancements and potential strategies in the development of MERS-CoV vaccines

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21 January 2018

A safe and convenient pseudovirus-based inhibition assay to detect neutralizing antibodies and screen for viral entry inhibitors against the novel human coronavirus MERS-CoV

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21 January 2018

A truncated receptor-binding domain of MERS-CoV spike protein potently inhibits MERS-CoV infection and induces strong neutralizing antibody responses: implication for developing therapeutics and vaccines

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21 January 2018

Repurposing of clinically developed drugs for treatment of Middle East respiratory syndrome coronavirus infection

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21 January 2018

Drug repurposing: a better approach for infectious disease drug discovery?

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21 January 2018

Cell-based antiviral screening against coronaviruses: developing virus-specific and broad-spectrum inhibitors

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21 January 2018

Yeast-based assays for the high-throughput screening of inhibitors of coronavirus RNA cap guanine-N7-methyltransferase

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21 January 2018

Screening of an FDA-approved compound library identifies four small-molecule inhibitors of Middle East respiratory syndrome coronavirus replication in cell culture

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21 January 2018

Evaluation of SSYA10-001 as a replication inhibitor of severe acute respiratory syndrome, mouse hepatitis, and Middle East respiratory syndrome coronaviruses

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21 January 2018

From SARS to MERS: 10 years of research on highly pathogenic human coronaviruses

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21 January 2018

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

1 reference

https://api.crossref.org/works/10.1002%2FJMR.2644

21 January 2018

Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features

1 reference

https://api.crossref.org/works/10.1002%2FJMR.2644

21 January 2018

Identification of novel inhibitors of the SARS coronavirus main protease 3CLpro.

1 reference

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21 January 2018

Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.

1 reference

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21 January 2018

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

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21 January 2018

Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design

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21 January 2018

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

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21 January 2018

Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4--The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS)

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21 January 2018

QSAR studies in the discovery of novel type-II diabetic therapies

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21 January 2018

Docking-based comparative intermolecular contacts analysis as new 3-D QSAR concept for validating docking studies and in silico screening: NMT and GP inhibitors as case studies

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21 January 2018

Pharmacophore modeling, quantitative structure-activity relationship analysis, and shape-complemented in silico screening allow access to novel influenza neuraminidase inhibitors.

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21 January 2018

Elaborate ligand-based pharmacophore exploration and QSAR analysis guide the synthesis of novel pyridinium-based potent beta-secretase inhibitory leads

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Computer-aided discovery of new FGFR-1 inhibitors followed by in vitro validation.

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Ligand-based modeling of diverse aryalkylamines yields new potent P-glycoprotein inhibitors

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21 January 2018

Validation studies of the site-directed docking program LibDock.

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21 January 2018

Detailed analysis of grid-based molecular docking: A case study of CDOCKER-A CHARMm-based MD docking algorithm.

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21 January 2018

LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites

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A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

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21 January 2018

Elaborate ligand-based modeling coupled with QSAR analysis and in silico screening reveal new potent acetylcholinesterase inhibitors.

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Comparison of the predicted and observed secondary structure of T4 phage lysozyme

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21 January 2018

National Cancer Institute Drug Information System 3D database.

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21 January 2018

X-ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-like Proteases

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21 January 2018

A mouse model for Betacoronavirus subgroup 2c using a bat coronavirus strain HKU5 variant

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21 January 2018

Ligand efficiency: a useful metric for lead selection

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21 January 2018

Ligand efficiency indices as guideposts for drug discovery.

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21 January 2018

Discovery of new renin inhibitory leads via sequential pharmacophore modeling, QSAR analysis, in silico screening and in vitro evaluation.

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Discovery of nanomolar phosphoinositide 3-kinase gamma (PI3Kγ) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis.

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New molecular descriptors for 2D and 3D structures. Theory

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Screening-based translation of public research encounters painful problems

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

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1 reference

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1 reference

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12 December 2020

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inferred from PubMed ID database lookup

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 reference

https://pubmed.ncbi.nlm.nih.gov/28608547

12 December 2020

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inferred from PubMed ID database lookup

Alternative screening approaches for discovery of Middle East respiratory syndrome coronavirus inhibitors

1 reference

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1 reference

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1 reference

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Combining docking, scoring and molecular field analyses to probe influenza neuraminidase–ligand interactions

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https://pubmed.ncbi.nlm.nih.gov/28608547

12 December 2020

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Identifiers

10.1002/JMR.2644

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28608547%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28608547%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:28608547%20AND%20SRC:MED&resulttype=core&format=json

31 May 2020

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