Non-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assay (Q27679837)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

title

Non-peptidic cruzain inhibitors with trypanocidal activity discovered by virtual screening and in vitro assay (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

0 references

1 reference

Alberico Borges Ferreira Da Silva

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

Joao S Silva

10

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

Carlos Alberto Montanari

12

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

author name string

Helton J Wiggers

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

Josmar R Rocha

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

William B Fernandes

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

Renata Sesti-Costa

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

Zumira A Carneiro

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

Juliana Cheleski

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

Luiz Juliano

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

Maria H S Cezari

9

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

James H McKerrow

11

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

language of work or name

English

0 references

publication date

22 August 2013

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

PLoS Neglected Tropical Diseases

8 March 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

volume

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

issue

8

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

page(s)

e2370

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution 4.0 International

8 March 2020

copyright license

start time

22 August 2013

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

In Vitro and In Vivo Studies of the Trypanocidal Properties of WRR-483 against Trypanosoma cruzi

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Complementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain Inhibitors

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

PHENIX: a comprehensive Python-based system for macromolecular structure solution

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Nonpeptidic Tetrafluorophenoxymethyl Ketone Cruzain Inhibitors as Promising New Leads for Chagas Disease Chemotherapy

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

MolProbity: all-atom structure validation for macromolecular crystallography

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Vinyl Sulfones as Antiparasitic Agents and a Structural Basis for Drug Design

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

ZINC--a free database of commercially available compounds for virtual screening

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

From The Cover: Automated protein crystal structure determination using ELVES

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

L-trans-Epoxysuccinyl-leucylamido(4-guanidino)butane (E-64) and its analogues as inhibitors of cysteine proteinases including cathepsins B, H and L

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Phasercrystallographic software

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Scaling and assessment of data quality

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Coot: model-building tools for molecular graphics

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Irreversible inhibitors of serine, cysteine, and threonine proteases

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Ligand docking and structure-based virtual screening in drug discovery

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

The Trypanosoma cruzi protease cruzain mediates immune evasion

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Presenting your structures: the CCP4mg molecular-graphics software

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Ligand efficiency: a useful metric for lead selection

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Mapping inhibitor binding modes on an active cysteine protease via nuclear magnetic resonance spectroscopy

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Design of a fragment library that maximally represents available chemical space

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

FRED pose prediction and virtual screening accuracy

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

'Click chemistry' synthesis of a library of 1,2,3-triazole-substituted galactose derivatives and their evaluation against Trypanosoma cruzi and its cell surface trans-sialidase

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Specific chemotherapy of Chagas disease: relevance, current limitations and new approaches

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Two approaches to discovering and developing new drugs for Chagas disease.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Design, synthesis, and discovery of novel non-peptide inhibitor of Caspase-3 using ligand based and structure based virtual screening approach

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Development of a novel virtual screening cascade protocol to identify potential trypanothione reductase inhibitors

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Fragment approaches in structure-based drug discovery

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Integration of fragment screening and library design

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Non-peptidic inhibitors of cysteine proteases.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Divergent modes of enzyme inhibition in a homologous structure-activity series

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Structural determinants of specificity in the cysteine protease cruzain

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

The sequence, organization, and expression of the major cysteine protease (cruzain) from Trypanosoma cruzi

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

2 June 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PNTD.0002370

Chagas disease: a new worldwide challenge.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PNTD.0002370

Peptidyl allyl sulfones: a new class of inhibitors for clan CA cysteine proteases

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PNTD.0002370

Structure-based design, synthesis and evaluation of conformationally constrained cysteine protease inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PNTD.0002370

Complexation of the anti-Trypanosoma cruzi drug benznidazole improves solubility and efficacy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PNTD.0002370

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PNTD.0002370

The development and validation of a novel virtual screening cascade protocol to identify potential serotonin 5-HT(7)R antagonists

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PNTD.0002370

Therapeutic activity and criterion of cure on mice experimentally infected with Trypanosoma cruzi

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3750009

Assessing the performance of OMEGA with respect to retrieving bioactive conformations

27 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23991231

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Integration of Ligand- and Target-Based Virtual Screening for the Discovery of Cruzain Inhibitors

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23991231

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Lead generation and examples opinion regarding how to follow up hits

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23991231

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1371/JOURNAL.PNTD.0002370

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json

8 March 2020

PubMed publication ID

23991231

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23991231%20AND%20SRC:MED&resulttype=core&format=json