(Q46099559)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19263098%20AND%20SRC:MED&resulttype=core&format=json

22 January 2020

title

Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity (English)

1 reference

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22 January 2020

author

Carlos Alberto Montanari

4

1 reference

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Alberico Borges Ferreira Da Silva

22 January 2020

3

1 reference

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22 January 2020

author name string

Fábio Alberto de Molfetta

1

1 reference

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22 January 2020

Renato Ferreira de Freitas

2

1 reference

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22 January 2020

publication date

5 March 2009

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19263098%20AND%20SRC:MED&resulttype=core&format=json

Journal of Molecular Modeling

22 January 2020

published in

1 reference

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22 January 2020

volume

15

1 reference

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22 January 2020

issue

10

1 reference

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22 January 2020

page(s)

1175-1184

1 reference

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8-Methoxy-naphtho[2,3-b]thiophen-4,9-quinone, a non-competitive inhibitor of trypanothione reductase

22 January 2020

cites work

2 references

Crossref

https://api.crossref.org/works/10.1007%2FS00894-009-0468-3

21 January 2018

12 December 2020

Antitrypanosomal, antileishmanial, and antimalarial activities of quaternary arylalkylammonium 2-amino-4-chlorophenyl phenyl sulfides, a new class of trypanothione reductase inhibitor, and of N-acyl derivatives of 2-amino-4-chlorophenyl phenyl sulfi

1 reference

12 December 2020

Chemotherapy of trypanosomiases and leishmaniasis

1 reference

12 December 2020

Computational study of the interaction between TIBO inhibitors and Y181 (C181), K101, and Y188 amino acids

1 reference

12 December 2020

3D QSAR studies on binding affinities of coumarin natural products for glycosomal GAPDH of Trypanosoma cruzi

1 reference

12 December 2020

A fluoro analogue of the menadione derivative 6-[2'-(3'-methyl)-1',4'-naphthoquinolyl]hexanoic acid is a suicide substrate of glutathione reductase. Crystal structure of the alkylated human enzyme

1 reference

12 December 2020

Mechanism and structure-activity relationships of norspermidine-based peptidic inhibitors of trypanothione reductase

1 reference

12 December 2020

New cytotoxic furoquinones obtained from terpenyl-1,4-naphthoquinones and 1,4-anthracenediones

1 reference

12 December 2020

Use of an additional hydrophobic binding site, the Z site, in the rational drug design of a new class of stronger trypanothione reductase inhibitor, quaternary alkylammonium phenothiazines

1 reference

12 December 2020

Automated docking of flexible ligands: applications of AutoDock

1 reference

12 December 2020

Python: a programming language for software integration and development

1 reference

12 December 2020

Crystal structure of Trypanosoma cruzi trypanothione reductase in complex with trypanothione, and the structure-based discovery of new natural product inhibitors

1 reference

12 December 2020

Catalytic roles for carbon-oxygen hydrogen bonding in SET domain lysine methyltransferases

1 reference

12 December 2020

Synthesis and biological evaluation of pyrazolylnaphthoquinones as new potential antiprotozoal and cytotoxic agents

1 reference

12 December 2020

Combining pharmacophore search, automated docking, and molecular dynamics simulations as a novel strategy for flexible docking. Proof of concept: docking of arginine-glycine-aspartic acid-like compounds into the alphavbeta3 binding site.

1 reference

12 December 2020

Phenothiazine inhibitors of trypanothione reductase as potential antitrypanosomal and antileishmanial drugs

1 reference

12 December 2020

A structure-activity relationship study of quinone compounds with trypanocidal activity

1 reference

12 December 2020

Mechanism of reduction of quinones by Trypanosoma congolense trypanothione reductase

1 reference

12 December 2020

A fast flexible docking method using an incremental construction algorithm.

1 reference

12 December 2020

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.

1 reference

12 December 2020

Conformational analyses and docking studies of a series of 5-nitrofuran- and 5-nitrothiophen-semicarbazone derivatives in three possible binding sites of trypanothione and glutathione reductases

1 reference

12 December 2020

A neural networks study of quinone compounds with trypanocidal activity.

1 reference

12 December 2020

Inhibition of Trypanosoma cruzi trypanothione reductase by acridines: kinetic studies and structure-activity relationships

1 reference

12 December 2020

ESPript: analysis of multiple sequence alignments in PostScript

1 reference

12 December 2020

Mode of action of natural and synthetic drugs against Trypanosoma cruzi and their interaction with the mammalian host.

1 reference

12 December 2020

LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions

1 reference

12 December 2020

Anti-plasmodial and anti-trypanosomal activity of synthetic naphtho[2,3-b]thiopen-4,9-quinones

1 reference

12 December 2020

10.1007/S00894-009-0468-3

Identifiers

DOI

1 reference

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22 January 2020

1 reference