Alan Talevi

Affiliations

Laboratorio de Investigación y Desarrollo de Bioactivos (LIDeB), Faculty of Exact Sciences, National University of La Plata (UNLP), Buenos Aires, Argentina.

Publications (28)

Machine Learning in Drug Discovery and Development Part 1: A Primer.

CPT: pharmacometrics & systems pharmacology

Avec: Alan Talevi , Juan Francisco Morales , Gregory Hather , Jagdeep T Podichetty , Sarah Kim , Peter C Bloomingdale , Samuel Kim , Jackson Burton , Joshua D Brown , Almut G Winterstein , Stephan Schmidt , Jensen Kael White , Daniela J Conrado

Positive Predictive Value Surfaces as a Complementary Tool to Assess the Performance of Virtual Screening Methods.

Mini reviews in medicinal chemistry

Avec: Juan F Morales , Sara Chuguransky , Lucas N Alberca , Juan I Alice , Sofía Goicoechea , María E Ruiz , Carolina L Bellera , Alan Talevi

Application of target repositioning and in silico screening to exploit fatty acid binding proteins (FABPs) from Echinococcus multilocularis as possible drug targets.

Journal of computer-aided molecular design

Avec: Julián A Bélgamo , Lucas N Alberca , Jorge L Pórfido , Franco N Caram Romero , Santiago Rodriguez , Alan Talevi , Betina Córsico , Gisela R Franchini

Ensemble learning application to discover new trypanothione synthetase inhibitors.

Molecular diversity

Avec: Juan I Alice , Carolina L Bellera , Diego Benítez , Marcelo A Comini , Pablo R Duchowicz , Alan Talevi

Triclabendazole and clofazimine reduce replication and spermine uptake in vitro in Toxoplasma gondii.

Parasitology research

Avec: Maria M Corvi , Franco Rossi , Agustina Ganuza , Andrés M Alonso , Lucas N Alberca , Roque C Dietrich , Luciana Gavernet , Alan Talevi

Frontiers in chemistry

Avec: Lucas N Alberca , Sara R Chuguransky , Cora L Álvarez , Alan Talevi , Emir Salas-Sarduy

The Thiol-polyamine Metabolism of Trypanosoma cruzi: Molecular Targets and Drug Repurposing Strategies.

Current medicinal chemistry

Avec: Alan Talevi , Carolina Carrillo , Marcelo Comini

Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study.

Journal of chemical information and modeling

Avec: Manuel A Llanos , Melisa E Gantner , Santiago Rodriguez , Lucas N Alberca , Carolina L Bellera , Alan Talevi , Luciana Gavernet

Making the most effective use of available computational methods for drug repositioning.

Expert opinion on drug discovery

Avec: Denis N Prada Gori , Lucas N Alberca , Alan Talevi

In Silico Screening Identification of Fatty Acids and Fatty Acid Derivatives with Antiseizure Activity: In Vitro and In Vivo Validation.

Pharmaceutics

Avec: Emilia Mercedes Barrionuevo , Estefanía Peralta , Agustín Manzur De Nardi , Juliana Monat , Maximiliano José Fallico , Manuel Augusto Llanos , Luciana Gavernet , Emilio Román Mustafá , Pedro Martin , Alan Talevi

In Silico Drug Repositioning for Chagas Disease.

Current medicinal chemistry

Avec: Carolina L Bellera , Lucas N Alberca , María L Sbaraglini , Alan Talevi

iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules.

Journal of chemical information and modeling

Avec: Denis N Prada Gori , Manuel A Llanos , Carolina L Bellera , Alan Talevi , Lucas N Alberca

Homology Modeling and Molecular Dynamics Simulations of Trypanosoma cruzi Phosphodiesterase b1.

Chemistry & biodiversity

Avec: Manuel A Llanos , Lucas N Alberca , Salomé C Vilchez Larrea , Alejandra C Schoijet , Guillermo D Alonso , Carolina L Bellera , Luciana Gavenet , Alan Talevi

A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity.

Journal of computer-aided molecular design

Avec: Manuel A Llanos , Lucas N Alberca , María D Ruiz , María L Sbaraglini , Cristian Miranda , Agustina Pino-Martinez , Laura Fraccaroli , Carolina Carrillo , Catalina D Alba Soto , Luciana Gavernet , Alan Talevi

A Combined Ligand- and Structure-Based Virtual Screening To Identify Novel NaV1.2 Blockers: In Vitro Patch Clamp Validation and In Vivo Anticonvulsant Activity.

Journal of chemical information and modeling

Avec: Manuel A Llanos , Nicolás Enrique , Vega Esteban-López , Sebastian Scioli-Montoto , David Sánchez-Benito , María E Ruiz , Veronica Milesi , Dolores E López , Alan Talevi , Pedro Martín , Luciana Gavernet

New anticonvulsant candidates prevent P-glycoprotein (P-gp) overexpression in a pharmacoresistant seizure model in mice.

Epilepsy & behavior : E&B

Avec: Andrea Verónica Enrique , Mauricio Emiliano Di Ianni , Sofía Goicoechea , Alberto Lazarowski , María Guadalupe Valle-Dorado , Juan José López Costa , Luisa Rocha , Elena Girardi , Alan Talevi

Hybrid Ofloxacin/eugenol co-loaded solid lipid nanoparticles with enhanced and targetable antimicrobial properties.

International journal of pharmaceutics

Avec: B Rodenak-Kladniew , S Scioli Montoto , M L Sbaraglini , M Di Ianni , M E Ruiz , A Talevi , V A Alvarez , N Durán , G R Castro , G A Islan

Cannabidiol (CBD) Inhibited Rhodamine-123 Efflux in Cultured Vascular Endothelial Cells and Astrocytes Under Hypoxic Conditions.

Frontiers in behavioral neuroscience

Avec: Jerónimo Auzmendi , Pablo Palestro , Agustín Blachman , Luciana Gavernet , Amalia Merelli , Alan Talevi , Graciela Cristina Calabrese , Alberto Javier Ramos , Alberto Lazarowski

Trypanosomatid-Caused Conditions: State of the Art of Therapeutics and Potential Applications of Lipid-Based Nanocarriers.

Frontiers in chemistry

Avec: Giuliana Muraca , Ignacio Rivero Berti , María L Sbaraglini , Wagner J Fávaro , Nelson Durán , Guillermo R Castro , Alan Talevi

Computer-Aided Drug Discovery and Design: Recent Advances and Future Prospects.

Methods in molecular biology (Clifton, N.J.)

Avec: Alan Talevi

Parabens inhibit hNa

Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie

Avec: Andrea Enrique , Pedro Martín , María Laura Sbaraglini , Alan Talevi , Verónica Milesi

Tetracycline Derivatives Inhibit Plasmodial Cysteine Protease Falcipain-2 through Binding to a Distal Allosteric Site.

Journal of chemical information and modeling

Avec: Jorge Enrique Hernández González , Lucas N Alberca , Yordanka Masforrol González , Osvaldo Reyes Acosta , Alan Talevi , Emir Salas-Sarduy

Antiseizure medication discovery: Recent and future paradigm shifts.

Epilepsia open

Avec: Alan Talevi

Structure-Based Virtual Screening Identifies Novobiocin, Montelukast, and Cinnarizine as TRPV1 Modulators with Anticonvulsant Activity

Journal of chemical information and modeling

Avec: Manuel A Llanos , Nicolás Enrique , María L Sbaraglini , Federico M Garofalo , Alan Talevi , Luciana Gavernet , Pedro Martín

Novel Phenobarbital-Loaded Nanostructured Lipid Carriers for Epilepsy Treatment: From QbD to

Frontiers in chemistry

Avec: Sebastian Scioli-Montoto , Maria Laura Sbaraglini , Jose Sebastian Cisneros , Cecilia Yamil Chain , Valeria Ferretti , Ignacio Esteban León , Vera Alejandra Alvarez , Guillermo Raul Castro , German Abel Islan , Alan Talevi , Maria Esperanza Ruiz

Identification of New Carbonic Anhydrase VII Inhibitors by Structure-Based Virtual Screening.

Journal of chemical information and modeling

Avec: Melisa E Gantner , Denis N Prada Gori , Manuel A Llanos , Alan Talevi , Andrea Angeli , Daniela Vullo , Claudiu T Supuran , Luciana Gavernet

Nanostructured lipid carriers containing benznidazole: physicochemical, biopharmaceutical and cellular in vitro studies.

Beilstein journal of nanotechnology

Avec: Giuliana Muraca , María Esperanza Ruiz , Rocío C Gambaro , Sebastián Scioli-Montoto , María Laura Sbaraglini , Gisel Padula , José Sebastián Cisneros , Cecilia Yamil Chain , Vera A Álvarez , Cristián Huck-Iriart , Guillermo R Castro , María Belén Piñero , Matias Ildebrando Marchetto , Catalina Alba Soto , Germán A Islan , Alan Talevi

An update on the novel methods for the discovery of antiseizure and antiepileptogenic medications: where are we in 2024?

Expert opinion on drug discovery

Avec: Alan Talevi , Carolina Bellera

Réseau de co-auteurs

Lucas N Alberca 11 collaborations

Luciana Gavernet 8 collaborations

Manuel A Llanos 7 collaborations

Carolina L Bellera 6 collaborations

María L Sbaraglini 4 collaborations

Denis N Prada Gori 3 collaborations

Pedro Martín 3 collaborations

Juan I Alice 2 collaborations

Sofía Goicoechea 2 collaborations

María E Ruiz 2 collaborations

Santiago Rodriguez 2 collaborations

Emir Salas-Sarduy 2 collaborations

Carolina Carrillo 2 collaborations

Melisa E Gantner 2 collaborations

Nicolás Enrique 2 collaborations

Sebastian Scioli-Montoto 2 collaborations

Alberto Lazarowski 2 collaborations

Giuliana Muraca 2 collaborations

Guillermo R Castro 2 collaborations

María Laura Sbaraglini 2 collaborations

Cecilia Yamil Chain 2 collaborations

Juan Francisco Morales 1 collaboration

Gregory Hather 1 collaboration

Jagdeep T Podichetty 1 collaboration

Sarah Kim 1 collaboration

Peter C Bloomingdale 1 collaboration

Samuel Kim 1 collaboration

Jackson Burton 1 collaboration

Joshua D Brown 1 collaboration

Almut G Winterstein 1 collaboration

Stephan Schmidt 1 collaboration

Jensen Kael White 1 collaboration

Daniela J Conrado 1 collaboration

Juan F Morales 1 collaboration

Sara Chuguransky 1 collaboration

Julián A Bélgamo 1 collaboration

Jorge L Pórfido 1 collaboration

Franco N Caram Romero 1 collaboration

Betina Córsico 1 collaboration

Gisela R Franchini 1 collaboration

Diego Benítez 1 collaboration

Marcelo A Comini 1 collaboration

Pablo R Duchowicz 1 collaboration

Maria M Corvi 1 collaboration

Franco Rossi 1 collaboration

Agustina Ganuza 1 collaboration

Andrés M Alonso 1 collaboration

Roque C Dietrich 1 collaboration

Sara R Chuguransky 1 collaboration

Cora L Álvarez 1 collaboration

Marcelo Comini 1 collaboration

Emilia Mercedes Barrionuevo 1 collaboration

Estefanía Peralta 1 collaboration

Agustín Manzur De Nardi 1 collaboration

Juliana Monat 1 collaboration

Maximiliano José Fallico 1 collaboration

Manuel Augusto Llanos 1 collaboration

Emilio Román Mustafá 1 collaboration

Pedro Martin 1 collaboration

Salomé C Vilchez Larrea 1 collaboration

Alejandra C Schoijet 1 collaboration

Guillermo D Alonso 1 collaboration

Luciana Gavenet 1 collaboration

María D Ruiz 1 collaboration

Cristian Miranda 1 collaboration

Agustina Pino-Martinez 1 collaboration

Laura Fraccaroli 1 collaboration

Catalina D Alba Soto 1 collaboration

Vega Esteban-López 1 collaboration

David Sánchez-Benito 1 collaboration

Veronica Milesi 1 collaboration

Dolores E López 1 collaboration

Andrea Verónica Enrique 1 collaboration

Mauricio Emiliano Di Ianni 1 collaboration

María Guadalupe Valle-Dorado 1 collaboration

Juan José López Costa 1 collaboration

Luisa Rocha 1 collaboration

Elena Girardi 1 collaboration

B Rodenak-Kladniew 1 collaboration

S Scioli Montoto 1 collaboration

M L Sbaraglini 1 collaboration

M Di Ianni 1 collaboration

M E Ruiz 1 collaboration

A Talevi 1 collaboration

V A Alvarez 1 collaboration

N Durán 1 collaboration

G R Castro 1 collaboration

G A Islan 1 collaboration

Jerónimo Auzmendi 1 collaboration

Pablo Palestro 1 collaboration

Agustín Blachman 1 collaboration

Amalia Merelli 1 collaboration

Graciela Cristina Calabrese 1 collaboration

Alberto Javier Ramos 1 collaboration

Ignacio Rivero Berti 1 collaboration

Wagner J Fávaro 1 collaboration

Nelson Durán 1 collaboration

Andrea Enrique 1 collaboration

Verónica Milesi 1 collaboration

Jorge Enrique Hernández González 1 collaboration

Yordanka Masforrol González 1 collaboration

Osvaldo Reyes Acosta 1 collaboration

Federico M Garofalo 1 collaboration

Maria Laura Sbaraglini 1 collaboration

Jose Sebastian Cisneros 1 collaboration

Valeria Ferretti 1 collaboration

Ignacio Esteban León 1 collaboration

Vera Alejandra Alvarez 1 collaboration

Guillermo Raul Castro 1 collaboration

German Abel Islan 1 collaboration

Maria Esperanza Ruiz 1 collaboration

Andrea Angeli 1 collaboration

Daniela Vullo 1 collaboration

Claudiu T Supuran 1 collaboration

María Esperanza Ruiz 1 collaboration

Rocío C Gambaro 1 collaboration

Sebastián Scioli-Montoto 1 collaboration

Gisel Padula 1 collaboration

José Sebastián Cisneros 1 collaboration

Vera A Álvarez 1 collaboration

Cristián Huck-Iriart 1 collaboration

María Belén Piñero 1 collaboration

Matias Ildebrando Marchetto 1 collaboration

Catalina Alba Soto 1 collaboration

Germán A Islan 1 collaboration

Carolina Bellera 1 collaboration