Publications by authors named "Esther Lete"

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Machine Learning Approach for Predicting Drug-Like Molecules Targeting Calmodulin Pathway Proteins.
Maider Baltasar-Marchueta, Naia López, Sara Alicante, Iratxe Barbolla, Markel Garcia Ibarluzea, Esther Lete

J Chem Inf Model· November 2025

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Microwave assisted cobalt(III)-catalysed C-H aminocarbonylation reactions with isocyanates for the synthesis of thiophenecarboxamides.
Borja Taboada-Seras, Carlos Santiago, Eider Sustatxa, Asier Carral-Menoyo, Nuria Sotomayor, Esther Lete

Org Biomol Chem· August 2025

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Identification of Riluzole derivatives as novel calmodulin inhibitors with neuroprotective activity by a joint synthesis, biosensor, and computational guided strategy.
Maider Baltasar-Marchueta, Leire Llona, Sara M-Alicante, Iratxe Barbolla, Markel Garcia Ibarluzea, Esther Lete

Biomed Pharmacother· May 2024

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MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products.
Paula Carracedo-Reboredo, Eider Aranzamendi, Shan He, Sonia Arrasate, Cristian R Munteanu, Esther Lete

J Cheminform· January 2024

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Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives.
Carlos Santiago, Bernabé Ortega-Tenezaca, Iratxe Barbolla, Brenda Fundora-Ortiz, Sonia Arrasate, Esther Lete

J Chem Inf Model· August 2022

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Microwave-assisted palladium catalysed C-H acylation with aldehydes: synthesis and diversification of 3-acylthiophenes.
Carlos Santiago, Xabier Jiménez-Aberasturi, Eztizen Leicea, Marta G Lete, Nuria Sotomayor, Esther Lete

Org Biomol Chem· January 2022

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Pd(II)-Catalyzed Fujiwara-Moritani Reactions for the Synthesis and Functionalization of Substituted Coumarins.
Verónica Ortiz-de-Elguea, Asier Carral-Menoyo, Lorena Simón-Vidal, Mikel Martinez-Nunes, Iratxe Barbolla, Marta G Lete, Esther Lete

ACS Omega· November 2021

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Palladium-mediated synthesis and biological evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as antileishmanial agents.
Iratxe Barbolla, Leidi Hernández-Suárez, Viviana Quevedo-Tumailli, Deyani Nocedo-Mena, Sonia Arrasate, Esther Lete

Eur J Med Chem· August 2021

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Molecular docking, SAR analysis and biophysical approaches in the study of the antibacterial activity of ceramides isolated from Cissus incisa.
Deyani Nocedo-Mena, Sonia Arrasate, Elvira Garza-González, Verónica M Rivas-Galindo, Antonio Romo-Mancillas, Esther Lete

Bioorg Chem· April 2021

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MCDCalc: Markov Chain Molecular Descriptors Calculator for Medicinal Chemistry.
Paula Carracedo-Reboredo, Ramiro Corona, Mikel Martinez-Nunes, Carlos Fernandez-Lozano, Georgia Tsiliki, Esther Lete

Curr Top Med Chem· December 2020

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Cp*Co(III)-Catalyzed C-H Hydroarylation of Alkynes and Alkenes and Beyond: A Versatile Synthetic Tool.
Asier Carral-Menoyo, Nuria Sotomayor, Esther Lete

ACS Omega· October 2020

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Amide-Directed Intramolecular Co(III)-Catalyzed C-H Hydroarylation of Alkenes for the Synthesis of Dihydrobenzofurans with a Quaternary Center.
Asier Carral-Menoyo, Nuria Sotomayor, Esther Lete

J Org Chem· August 2020

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Pd(II)-Catalyzed C-H Acylation of (Hetero)arenes-Recent Advances.
Carlos Santiago, Nuria Sotomayor, Esther Lete

Molecules· July 2020

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Intramolecular Palladium(II)-Catalyzed 6- C-H Alkenylation Directed by the Remote -Protecting Group: Mechanistic Insight and Application to the Synthesis of Dihydroquinolines.
Asier Carral-Menoyo, Lia Sotorríos, Verónica Ortiz-de-Elguea, Aitor Diaz-Andrés, Nuria Sotomayor, Esther Lete

J Org Chem· February 2020

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Big Data Challenges Targeting Proteins in GPCR Signaling Pathways; Combining PTML-ChEMBL Models and [S]GTPγS Binding Assays.
Rebeca Diez-Alarcia, Víctor Yáñez-Pérez, Itziar Muneta-Arrate, Sonia Arrasate, Esther Lete

ACS Chem Neurosci· November 2019

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Carbopalladation/Suzuki Coupling Cascade for the Generation of Quaternary Centers: Access to Pyrrolo[1,2-]isoquinolines.
Iratxe Barbolla, Nuria Sotomayor, Esther Lete

J Org Chem· August 2019

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Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks.
Deyani Nocedo-Mena, Carlos Cornelio, María Del Rayo Camacho-Corona, Elvira Garza-González, Noemi Waksman de Torres, Esther Lete

J Chem Inf Model· March 2019

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Palladium(II)-Catalyzed Intramolecular C-H Alkenylation for the Synthesis of Chromanes.
Asier Carral-Menoyo, Alexander Misol, Marcos Gómez-Redondo, Nuria Sotomayor, Esther Lete

J Org Chem· February 2019

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Perturbation-Theory and Machine Learning (PTML) Model for High-Throughput Screening of Parham Reactions: Experimental and Theoretical Studies.
Lorena Simón-Vidal, Oihane García-Calvo, Uxue Oteo, Sonia Arrasate, Esther Lete

J Chem Inf Model· July 2018

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Palladium-Catalyzed Dehydrogenative Coupling: An Efficient Synthetic Strategy for the Construction of the Quinoline Core.
Asier Carral-Menoyo, Verónica Ortiz-de-Elguea, Mikel Martinez-Nunes, Nuria Sotomayor, Esther Lete

Mar Drugs· August 2017

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Phenolic Activation in Chiral Brønsted Acid-Catalyzed Intramolecular α-Amidoalkylation Reactions for the Synthesis of Fused Isoquinolines.
Eider Aranzamendi, Nuria Sotomayor, Esther Lete

ACS Omega· June 2017

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Chiral Brønsted Acid-Catalyzed Enantioselective α-Amidoalkylation Reactions: A Joint Experimental and Predictive Study.
Eider Aranzamendi, Sonia Arrasate, Nuria Sotomayor, Humberto González-Díaz, Esther Lete

ChemistryOpen· December 2016

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Matrix trace operators: from spectral moments of molecular graphs and complex networks to perturbations in synthetic reactions, micelle nanoparticles, and drug ADME processes.
Humberto Gonzalez-Diaz, Sonia Arrasate, Asier Gomez-San Juan, Nuria Sotomayor, Esther Lete

Curr Drug Metab· June 2015

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General theory for multiple input-output perturbations in complex molecular systems. 1. Linear QSPR electronegativity models in physical, organic, and medicinal chemistry.
Humberto González-Díaz, Sonia Arrasate, Asier Gómez-SanJuan, Nuria Sotomayor, Esther Lete

Curr Top Med Chem· October 2014

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MIANN models in medicinal, physical and organic chemistry.
Humberto González-Díaz, Sonia Arrasate, Nuria Sotomayor, Esther Lete, Cristian R Munteanu

Curr Top Med Chem· February 2014

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