Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening (Q39300204)

15 June 2018

title

Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening (English)

1 reference

15 June 2018

1 reference

13

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Rodolpho C. Braga

14

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Cleber Camilo Melo-Filho

Cleber C Melo-Filho

4

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Bruno J. Neves

Bruno J Neves

Floriano Paes Silva-Junior

1

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Floriano P Silva-Junior

15

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Nicholas Furnham

10

Nicholas Furnham

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11

Eugene Muratov

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15 June 2018

author name string

Rafael F Dantas

2

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15 June 2018

Mario R Senger

3

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15 June 2018

Walter C G Valente

5

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Ana C M de Almeida

6

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João M Rezende-Neto

7

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Elid F C Lima

8

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15 June 2018

Ross Paveley

9

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15 June 2018

Lee Kamentsky

12

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Carolina Horta Andrade

16

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language of work or name

English

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publication date

22 July 2016

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15 June 2018

Journal of Medicinal Chemistry

published in

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15 June 2018

volume

59

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15 June 2018

issue

15

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15 June 2018

page(s)

7075-7088

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15 June 2018

Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity

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Modern approaches to accelerate discovery of new antischistosomal drugs.

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Chemistry: Chemical con artists foil drug discovery

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Human schistosomiasis

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17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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Kinetic features of L,D-transpeptidase inactivation critical for β-lactam antibacterial activity

17 June 2018

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Open-source platform to benchmark fingerprints for ligand-based virtual screening

17 June 2018

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17 June 2018

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Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening

17 June 2018

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17 June 2018

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17 June 2018

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Susceptibility or resistance of praziquantel in human schistosomiasis: a review

17 June 2018

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Thioredoxin glutathione reductase-dependent redox networks in platyhelminth parasites

17 June 2018

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Development of an in vitro drug screening assay using Schistosoma haematobium schistosomula

17 June 2018

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17 June 2018

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17 June 2018

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Thioredoxin glutathione reductase as a novel drug target: evidence from Schistosoma japonicum

17 June 2018

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A systematically improved high quality genome and transcriptome of the human blood fluke Schistosoma mansoni

17 June 2018

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17 June 2018

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Investigations of the catalytic mechanism of thioredoxin glutathione reductase from Schistosoma mansoni

17 June 2018

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17 June 2018

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17 June 2018

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Linked thioredoxin-glutathione systems in platyhelminth parasites: alternative pathways for glutathione reduction and deglutathionylation.

17 June 2018

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Comparison of microscopy and Alamar blue reduction in a larval based assay for schistosome drug screening

17 June 2018

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Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research

17 June 2018

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17 June 2018

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High content screening: seeing is believing.

17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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The Schistosoma japonicum genome reveals features of host-parasite interplay

17 June 2018

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17 June 2018

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17 June 2018

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Thioredoxin glutathione reductase from Schistosoma mansoni: an essential parasite enzyme and a key drug target

17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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Studies of a proteolytic enzyme from Schistosoma mansoni

17 June 2018

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17 June 2018

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The disulfide redox system of Schistosoma mansoni and the importance of a multifunctional enzyme, thioredoxin glutathione reductase

17 June 2018

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17 June 2018

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

17 June 2018

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Characterization of isolates of Schistosoma mansoni from Egyptian villagers that tolerate high doses of praziquantel.

17 June 2018

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Short report: diminished susceptibility to praziquantel in a Senegal isolate of Schistosoma mansoni.

17 June 2018

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17 June 2018

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17 June 2018

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17 June 2018

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Curation of chemogenomics data

21 August 2018

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Inhibitory effects and analysis of RNA interference on thioredoxin glutathione reductase expression in Schistosoma japonicum

21 August 2018

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Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies.

21 August 2018

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21 August 2018

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New drugs for an ancient parasite

21 August 2018

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Toward the Elimination of Schistosomiasis

1 October 2018

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Insights into blood feeding by schistosomes from a proteomic analysis of worm vomitus

2 December 2018

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12 December 2020

Antioxidant systems in Schistosoma mansoni: evidence for their role in protection of the adult worms against oxidant killing

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12 December 2020

Why do proteins use selenocysteine instead of cysteine?

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12 December 2020

Quantitative structure-activity relationship studies of [(biphenyloxy)propyl]isoxazole derivatives. Inhibitors of human rhinovirus 2 replication

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12 December 2020

Do antioxidants play a role in schistosome host-parasite interactions?

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12 December 2020

Greedy function approximation: A gradient boosting machine

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13 June 2022

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A Coefficient of Agreement for Nominal Scales

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The antidepressant drug paroxetine as a new lead candidate in schistosome drug discovery

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Mesenteric venous thrombosis

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An Introduction to Kernel and Nearest-Neighbor Nonparametric Regression

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Multivariate Adaptive Regression Splines

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Identifying Important Risk Factors for Survival in Kidney Graft Failure Patients Using Random Survival Forests

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Computer-Aided Prediction of Rodent Carcinogenicity by PASS and CISOC-PSCT

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Handbook of Molecular Descriptors

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

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13 June 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ACS.JMEDCHEM.5B02038

Identifiers

DOI

10.1021/ACS.JMEDCHEM.5B02038

1 reference

15 June 2018

PMC publication ID

5844225

1 reference

15 June 2018

PubMed publication ID

27396732

1 reference

15 June 2018