(Q35019457)

5 August 2017

title

Combining computational methods for hit to lead optimization in Mycobacterium tuberculosis drug discovery (English)

1 reference

Mycobacterium tuberculosis

5 August 2017

main subject

0 references

0 references

1 reference

2

Joel S Freundlich

1 reference

5 August 2017

1

Sean Ekins

1 reference

5 August 2017

Judith V Hobrath

3

1 reference

5 August 2017

E Lucile White

series ordinal

4

1 reference

5 August 2017

Robert C Reynolds

series ordinal

5

1 reference

5 August 2017

publication date

17 October 2013

1 reference

5 August 2017

published in

Pharmaceutical Research

1 reference

5 August 2017

volume

31

1 reference

5 August 2017

issue

2

1 reference

5 August 2017

page(s)

414-435

1 reference

Discovery of tetrahydropyrazolopyrimidine carboxamide derivatives as potent and orally active antitubercular agents

5 August 2017

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8 July 2018

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Tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide and N-benzyl-6',7'-dihydrospiro[piperidine-4,4'-thieno[3,2-c]pyran] analogues with bactericidal efficacy against Mycobacterium tuberculosis targeting MmpL3

8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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A high-throughput screen to identify inhibitors of ATP homeostasis in non-replicating Mycobacterium tuberculosis

8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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High throughput screening of a library based on kinase inhibitor scaffolds against Mycobacterium tuberculosis H37Rv

8 July 2018

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Validating new tuberculosis computational models with public whole cell screening aerobic activity datasets

8 July 2018

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8 July 2018

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Predicting cytotoxicity from heterogeneous data sources with Bayesian learning.

8 July 2018

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8 July 2018

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Identification and validation of novel human pregnane X receptor activators among prescribed drugs via ligand-based virtual screening

8 July 2018

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Leads for antitubercular compounds from kinase inhibitor library screens

8 July 2018

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Basic primitives for molecular diagram sketching

8 July 2018

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Analysis and hit filtering of a very large library of compounds screened against Mycobacterium tuberculosis

8 July 2018

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A collaborative database and computational models for tuberculosis drug discovery

8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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8 July 2018

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Cheminformatics analysis and learning in a data pipelining environment

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3946937

Improved naïve Bayesian modeling of numerical data for absorption, distribution, metabolism and excretion (ADME) property prediction

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3946937

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8 July 2018

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8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3946937

In vitro and in vivo activities of macrolide derivatives against Mycobacterium tuberculosis

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3946937

Microplate alamar blue assay versus BACTEC 460 system for high-throughput screening of compounds against Mycobacterium tuberculosis and Mycobacterium avium

8 July 2018

1 reference

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Chemical Space: Missing Pieces in Cheminformatics

8 July 2018

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Using extended-connectivity fingerprints with Laplacian-modified Bayesian analysis in high-throughput screening follow-up

21 January 2018

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Cheminformatics workflows using mobile apps

21 January 2018

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Integrated in silico-in vitro strategy for addressing cytochrome P450 3A4 time-dependent inhibition

21 January 2018

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Impact of high-throughput screening in biomedical research

21 January 2018

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Making space for anti-infective drug discovery

25 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24132686

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S11095-013-1172-7

1 reference

5 August 2017

1 reference

5 August 2017

1 reference