(Q90482242)

English

Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CL pro) structure: virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates

scientific article published on 21 February 2020

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scholarly article

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32194944%20AND%20SRC:MED&resulttype=core&format=json

14 April 2020

Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CL pro) structure: virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates (English)

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32194944%20AND%20SRC:MED&resulttype=core&format=json

14 April 2020

1 reference

based on heuristic

inferred from title

1 reference

based on heuristic

inferred from title

virtual screening

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1

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32194944%20AND%20SRC:MED&resulttype=core&format=json

14 April 2020

Chin-Pang Bennu Yiu

2

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32194944%20AND%20SRC:MED&resulttype=core&format=json

14 April 2020

author name string

Kwok-Yin Wong

3

1 reference

Europe PubMed Central

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14 April 2020

publication date

21 February 2020

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32194944%20AND%20SRC:MED&resulttype=core&format=json

14 April 2020

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32194944%20AND%20SRC:MED&resulttype=core&format=json

14 April 2020

9

1 reference

Europe PubMed Central

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14 April 2020

129

1 reference

Europe PubMed Central

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14 April 2020

copyright license

Creative Commons Attribution 4.0 International

9 April 2020

1 reference

April 2022 Public Data File from Crossref

copyright status

0 references

The penultimate rotamer library

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Role of lopinavir/ritonavir in the treatment of SARS: initial virological and clinical findings.

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

3C-like proteinase from SARS coronavirus catalyzes substrate hydrolysis by a general base mechanism

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Old drugs as lead compounds for a new disease? Binding analysis of SARS coronavirus main proteinase with HIV, psychotic and parasite drugs

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Small molecules targeting severe acute respiratory syndrome human coronavirus

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Anti-SARS coronavirus 3C-like protease effects of Isatis indigotica root and plant-derived phenolic compounds.

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

SARS: systematic review of treatment effects

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Residues on the dimer interface of SARS coronavirus 3C-like protease: dimer stability characterization and enzyme catalytic activity analysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular dynamic simulations analysis of ritonavir and lopinavir as SARS-CoV 3CL(pro) inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Improved prediction of protein side-chain conformations with SCWRL4

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Mutation of Glu-166 blocks the substrate-induced dimerization of SARS coronavirus main protease.

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

MTiOpenScreen: a web server for structure-based virtual screening.

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An Overview of Severe Acute Respiratory Syndrome-Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy.

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity.

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A familial cluster of pneumonia associated with the 2019 novel coronavirus indicating person-to-person transmission: a study of a family cluster

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

First Case of 2019 Novel Coronavirus in the United States

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Potential inhibitors against 2019-nCoV coronavirus M protease from clinically approved medicines

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Predicting commercially available antiviral drugs that may act on the novel coronavirus (SARS-CoV-2) through a drug-target interaction deep learning model

1 reference

https://pubmed.ncbi.nlm.nih.gov/32194944

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.12688/F1000RESEARCH.22457.2

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32194944%20AND%20SRC:MED&resulttype=core&format=json

14 April 2020

0 references

Dimensions Publication ID

1 reference

Dimensions COVID-19 publications, datasets and clinical trials

10.6084/M9.FIGSHARE.11961063

28 May 2020

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32194944%20AND%20SRC:MED&resulttype=core&format=json

14 April 2020

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32194944%20AND%20SRC:MED&resulttype=core&format=json

14 April 2020

Semantic Scholar corpus ID

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