(Q34180451)

English

Identification of novel antimalarial chemotypes via chemoinformatic compound selection methods for a high-throughput screening program against the novel malarial target, PfNDH2: increasing hit rate via virtual screening methods.

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Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22380711%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

Identification of novel antimalarial chemotypes via chemoinformatic compound selection methods for a high-throughput screening program against the novel malarial target, PfNDH2: increasing hit rate via virtual screening methods (English)

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22380711%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

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virtual screening

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based on heuristic

inferred from title

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based on heuristic

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14

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24 January 2020

15

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24 January 2020

21

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24 January 2020

Giancarlo Biagini

22

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24 January 2020

23

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24 January 2020

Ashley J Warman

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Ashley J Warman

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24 January 2020

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Alison E Shone

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24 January 2020

Richard K Amewu

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Richard K Amewu

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24 January 2020

Chandrakala Pidathala

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Chandrakala Pidathala

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24 January 2020

Alexandre S Lawrenson

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Alexandre S Lawrenson

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24 January 2020

Alison Mbekeani

7

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Alison Mbekeani

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24 January 2020

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Suet Leung

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24 January 2020

13

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Paul Stocks

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24 January 2020

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Raman Sharma

1

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24 January 2020

Nicholas E Fisher

3

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24 January 2020

Alasdair Hill

6

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24 January 2020

Peter Gibbons

11

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24 January 2020

David W Hong

12

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24 January 2020

Joanne Shearer

16

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24 January 2020

Ian Gowers

17

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24 January 2020

David Cronk

18

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24 January 2020

Serge P Parel

19

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24 January 2020

Paul M O'Neill

20

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24 January 2020

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22 March 2012

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24 January 2020

Journal of Medicinal Chemistry

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24 January 2020

55

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24 January 2020

7

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24 January 2020

3144-3154

1 reference

Europe PubMed Central

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24 January 2020

Fast similarity searching and screening hit analysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3324984

5 July 2018

Lipophilicity in drug discovery

1 reference

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5 July 2018

Identification, design and biological evaluation of heterocyclic quinolones targeting Plasmodium falciparum type II NADH:quinone oxidoreductase (PfNDH2).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3324984

5 July 2018

Identification, design and biological evaluation of bisaryl quinolones targeting Plasmodium falciparum type II NADH:quinone oxidoreductase (PfNDH2).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3324984

5 July 2018

Virtual screening data fusion using both structure- and ligand-based methods

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3324984

5 July 2018

Imaging of Plasmodium Liver Stages to Drive Next-Generation Antimalarial Drug Discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3324984

5 July 2018

Effectiveness of 2D Fingerprints for Scaffold Hopping

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3324984

5 July 2018

Novel Rational Drug Design Strategies with Potential to Revolutionize Malaria Chemotherapy

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3324984

5 July 2018

Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.

1 reference

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5 July 2018

Quo Vadis, Virtual Screening? A Comprehensive Survey of Prospective Applications

1 reference

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5 July 2018

Inhibiting Plasmodium cytochrome bc1: a complex issue

1 reference

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5 July 2018

Chemical genetics of Plasmodium falciparum

1 reference

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5 July 2018

Thousands of chemical starting points for antimalarial lead identification

1 reference

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5 July 2018

Extended-connectivity fingerprints

1 reference

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5 July 2018

Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation

1 reference

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5 July 2018

Machine learning in virtual screening.

1 reference

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5 July 2018

Virtual screening - what does it give us?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3324984

5 July 2018

Chapter 17 Type II NADH: quinone oxidoreductases of Plasmodium falciparum and Mycobacterium tuberculosis kinetic and high-throughput assays.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3324984

5 July 2018

Efficient drug lead discovery and optimization

1 reference

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5 July 2018

Recent highlights in antimalarial drug resistance and chemotherapy research

1 reference

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5 July 2018

Physiochemical drug properties associated with in vivo toxicological outcomes

1 reference

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5 July 2018

Application of belief theory to similarity data fusion for use in analog searching and lead hopping

1 reference

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5 July 2018

The malaria parasite type II NADH:quinone oxidoreductase: an alternative enzyme for an alternative lifestyle

1 reference

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5 July 2018

Similarity-based virtual screening using 2D fingerprints

1 reference

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5 July 2018

Functional characterization and target validation of alternative complex I of Plasmodium falciparum mitochondria

1 reference

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PowerMV: a software environment for molecular viewing, descriptor generation, data analysis and hit evaluation

1 reference

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5 July 2018

The global distribution of clinical episodes of Plasmodium falciparum malaria

1 reference

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5 July 2018

Molecular similarity: a key technique in molecular informatics

1 reference

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Simple and inexpensive fluorescence-based technique for high-throughput antimalarial drug screening.

1 reference

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5 July 2018

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1 reference

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5 July 2018

Reoptimization of MDL keys for use in drug discovery

1 reference

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5 July 2018

Do structurally similar molecules have similar biological activity?

1 reference

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Molecular properties that influence the oral bioavailability of drug candidates

1 reference

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Estimation of aqueous solubility of chemical compounds using E-state indices

1 reference

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The economic burden of malaria.

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5 July 2018

Drug-like properties and the causes of poor solubility and poor permeability

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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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1 reference

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1 reference

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based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/JM3001482

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22380711%20AND%20SRC:MED&resulttype=core&format=json

24 January 2020

PMC publication ID

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24 January 2020

PubMed publication ID

1 reference

Europe PubMed Central

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24 January 2020

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