(Q33259931)

24 July 2017

title

Application of linear discriminant analysis in the virtual screening of antichagasic drugs through trypanothione reductase inhibition (English)

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24 July 2017

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Alan Talevi

2

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author name string

Julián J Prieto

series ordinal

1

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24 July 2017

Luis E Bruno-Blanch

series ordinal

3

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24 July 2017

publication date

1 August 2006

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24 July 2017

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24 July 2017

volume

10

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24 July 2017

issue

3

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24 July 2017

page(s)

361-375

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Virtual screening and fast automated docking methods.

24 July 2017

cites work

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS11030-006-9044-2

Specific chemotherapy of Chagas disease: a comparison between the response in patients and experimental animals inoculated with the same strains

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A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases

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Inhibitors of Trypanosoma cruzi trypanothione reductase revealed by virtual screening and parallel synthesis

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Integrating virtual screening in lead discovery

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Synthesis and in vitro trypanocide activity of several polycyclic drimane-quinone derivatives

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Trypanosoma cruzi: a novel chemical class (nitrobenzofurans) active against infections of mice (Mus musculus)

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Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds

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Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

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On reformulated Zagreb indices.

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The relative toxicity of compounds in mainstream cigarette smoke condensate

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Study of probabilistic neural networks to classify the active compounds in medicinal plants

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Design, synthesis and biological evaluation of new potent 5-nitrofuryl derivatives as anti-Trypanosoma cruzi agents. Studies of trypanothione binding site of trypanothione reductase as target for rational design.

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Lipid formulations for oral administration of drugs: non-emulsifying, self-emulsifying and 'self-microemulsifying' drug delivery systems

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A linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: Outcomes of in silico studies supported by experimental results

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Buthionine sulfoximine increases the toxicity of nifurtimox and benznidazole to Trypanosoma cruzi.

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Glutathione derivatives active against Trypanosoma brucei rhodesiense and T. brucei brucei in vitro

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Trypanosoma cruzi: effect and mode of action of nitroimidazole and nitrofuran derivatives

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2- and 3-substituted 1,4-naphthoquinone derivatives as subversive substrates of trypanothione reductase and lipoamide dehydrogenase from Trypanosoma cruzi: synthesis and correlation between redox cycling activities and in vitro cytotoxicity.

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Trypanothione reductase activity is prominent in metacyclic promastigotes and axenic amastigotes of Leishmania amazonesis. Evaluation of its potential as a therapeutic target

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Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors

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CP-MLR directed QSAR studies on the antimycobacterial activity of functionalized alkenols--topological descriptors in modeling the activity

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QSAR study on the contribution of log P and E(s) to the in vitro antiprotozoal activity of glutathione derivatives

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12 December 2020

10.1007/S11030-006-9044-2

Identifiers

DOI

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24 July 2017

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