Cargando…

Development of a Novel Virtual Screening Cascade Protocol to Identify Potential Trypanothione Reductase Inhibitors

[Image: see text] The implementation of a novel sequential computational approach that can be used effectively for virtual screening and identification of prospective ligands that bind to trypanothione reductase (TryR) is reported. The multistep strategy combines a ligand-based virtual screening for...

Descripción completa

Detalles Bibliográficos
Autores principales:	Perez-Pineiro, Rolando, Burgos, Asdrubal, Jones, Deuan C., Andrew, Lena C., Rodriguez, Hortensia, Suarez, Margarita, Fairlamb, Alan H., Wishart, David S.
Formato:	Texto
Lenguaje:	English
Publicado:	American Chemical Society 2009
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2659691/ https://www.ncbi.nlm.nih.gov/pubmed/19296695 http://dx.doi.org/10.1021/jm801306g

Ejemplares similares

Improved Tricyclic Inhibitors of Trypanothione Reductase by Screening and Chemical Synthesis
por: Richardson, John L, et al.
Publicado: (2009)

Synthesis and Evaluation of Indatraline-Based Inhibitors for Trypanothione Reductase
por: Walton, Jeffrey G A, et al.
Publicado: (2011)

Comparative structural, kinetic and inhibitor studies of Trypanosoma brucei trypanothione reductase with T. cruzi()
por: Jones, Deuan C., et al.
Publicado: (2010)

Investigation of Trypanothione Reductase as a Drug Target in Trypanosoma brucei
por: Spinks, Daniel, et al.
Publicado: (2009)

Synthesis and Evaluation of 1-(1-(Benzo[b]thiophen-2-yl)cyclohexyl)piperidine (BTCP) Analogues as Inhibitors of Trypanothione Reductase
por: Patterson, Stephen, et al.
Publicado: (2009)

Dihydroquinazolines as a Novel Class of Trypanosoma brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of their Binding Mode by Protein Crystallography
por: Patterson, Stephen, et al.
Publicado: (2011)

Footprinting of Inhibitor Interactions of In Silico Identified Inhibitors of Trypanothione Reductase of Leishmania Parasite
por: Venkatesan, Santhosh K., et al.
Publicado: (2012)

Mini review on tricyclic compounds as an inhibitor of trypanothione reductase
por: Kumar, Suresh, et al.
Publicado: (2014)

Inhibition of Leishmania infantum trypanothione reductase by diaryl sulfide derivatives
por: Saccoliti, Francesco, et al.
Publicado: (2017)

Leishmania mexicana Trypanothione Reductase Inhibitors: Computational and Biological Studies
por: Matadamas-Martínez, Félix, et al.
Publicado: (2019)

In Silico Exploration of the Trypanothione Reductase (TryR) of L. mexicana
por: Barrera-Téllez, Francisco J., et al.
Publicado: (2023)

Trypanothione Reductase: A Target Protein for a Combined In Vitro and In Silico Screening Approach
por: Beig, Mathias, et al.
Publicado: (2015)

ATP-dependent ligases in trypanothione biosynthesis – kinetics of catalysis and inhibition by phosphinic acid pseudopeptides
por: Oza, Sandra L, et al.
Publicado: (2008)

Trypanothione Reductase: A Viable Chemotherapeutic Target for Antitrypanosomal and Antileishmanial Drug Design
por: Khan, M. Omar F.
Publicado: (2007)

Efficient Dimerization Disruption of Leishmania infantum Trypanothione Reductase by Triazole-phenyl-thiazoles
por: Revuelto, Alejandro, et al.
Publicado: (2021)

Design, Synthesis and Biological Evaluation of Trypanosoma brucei Trypanothione Synthetase Inhibitors
por: Spinks, Daniel, et al.
Publicado: (2012)

Trypanocidal Activity of Quinoxaline 1,4 Di-N-oxide Derivatives as Trypanothione Reductase Inhibitors
por: Chacón-Vargas, Karla Fabiola, et al.
Publicado: (2017)

Dissecting the essentiality of the bifunctional trypanothione synthetase-amidase in Trypanosoma brucei using chemical and genetic methods
por: Wyllie, Susan, et al.
Publicado: (2009)

Leishmania Trypanothione Synthetase-Amidase Structure Reveals a Basis for Regulation of Conflicting Synthetic and Hydrolytic Activities
por: Fyfe, Paul K., et al.
Publicado: (2008)

Antitumor Quinol PMX464 Is a Cytocidal Anti-trypanosomal Inhibitor Targeting Trypanothione Metabolism
por: König, Janine, et al.
Publicado: (2011)

Identification and binding mode of a novel Leishmania Trypanothione reductase inhibitor from high throughput screening
por: Turcano, Lorenzo, et al.
Publicado: (2018)

Natural Sesquiterpene Lactones of the 4,15-iso-Atriplicolide Type are Inhibitors of Trypanothione Reductase
por: Lenz, Mairin, et al.
Publicado: (2019)

Small Molecule–Peptide Conjugates as Dimerization Inhibitors of Leishmania infantum Trypanothione Disulfide Reductase
por: Revuelto, Alejandro, et al.
Publicado: (2021)

New Amino Naphthoquinone Derivatives as Anti-Trypanosoma cruzi Agents Targeting Trypanothione Reductase
por: Espinosa-Bustos, Christian, et al.
Publicado: (2022)

Chemical Validation of Trypanothione Synthetase: A POTENTIAL DRUG TARGET FOR HUMAN TRYPANOSOMIASIS
por: Torrie, Leah S., et al.
Publicado: (2009)

Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design
por: Fiorillo, Annarita, et al.
Publicado: (2022)

Inhibition of Leishmania infantum Trypanothione Reductase by New Aminopropanone Derivatives Interacting with the NADPH Binding Site
por: Madia, Valentina Noemi, et al.
Publicado: (2023)

Chemical, genetic and structural assessment of pyridoxal kinase as a drug target in the African trypanosome
por: Jones, Deuan C, et al.
Publicado: (2012)

Drug-like molecules with anti-trypanothione synthetase activity identified by high throughput screening
por: Benítez, Diego, et al.
Publicado: (2022)

Dataset generated for Dissection of mechanisms of Trypanothione Reductase and Tryparedoxin Peroxidase through dynamic network analysis and simulations in leishmaniasis
por: Kumar, Anurag, et al.
Publicado: (2017)

Spiro-containing derivatives show antiparasitic activity against Trypanosoma brucei through inhibition of the trypanothione reductase enzyme
por: Turcano, Lorenzo, et al.
Publicado: (2020)

Allosteric Activation of Trypanosomatid Deoxyhypusine Synthase by a Catalytically Dead Paralog
por: Nguyen, Suong, et al.
Publicado: (2013)

Relevance of Trypanothione Reductase Inhibitors on Trypanosoma cruzi Infection: A Systematic Review, Meta-Analysis, and In Silico Integrated Approach
por: Mendonça, Andréa Aparecida Santos, et al.
Publicado: (2018)

Targeting Trypanothione Reductase, a Key Enzyme in the Redox Trypanosomatid Metabolism, to Develop New Drugs against Leishmaniasis and Trypanosomiases
por: Battista, Theo, et al.
Publicado: (2020)

Virtual Screening and Biological Evaluation of Inhibitors Targeting the XPA-ERCC1 Interaction
por: Barakat, Khaled H., et al.
Publicado: (2012)

Epigallocathechin-O-3-Gallate Inhibits Trypanothione Reductase of Leishmania infantum, Causing Alterations in Redox Balance and Leading to Parasite Death
por: Inacio, Job D. F., et al.
Publicado: (2021)

Trypanothione Reductase Gene Mutations in Meglumine Antimoniate Resistant Isolates from Cutaneous Leishmaniasis Patients Using Molecular Dynamics Method
por: FOZONGARI, Fatemeh, et al.
Publicado: (2020)

Identification of a κ-opioid agonist as a potent and selective lead for drug development against human African trypanosomiasis
por: Jones, Deuan C., et al.
Publicado: (2010)

Bioassay-based Corchorus capsularis L. leaf-derived β-sitosterol exerts antileishmanial effects against Leishmania donovani by targeting trypanothione reductase
por: Pramanik, Pijush Kanti, et al.
Publicado: (2020)

Thiadiazine Derivatives as Antiprotozoal New Drugs
por: Bermello, Julieta Coro, et al.
Publicado: (2011)

Cannot write session to /tmp/vufind_sessions/sess_6mbhdl34ugn9ev6a03aah81r0o