Organometalics in Synthesis Research Group

• Andrea Ruiz-Escudero, Zuriñe Serna-Burgos, Sonia Arrasate, Humberto González- Díaz  PTML models of self assembled ligand free nanoparticle catalysts for cross coupling reactions Scientific Reports,  2025;  15, 29895
• Borja Taboada-Seras, Carlos Santiago, Eider Sustatxa, Asier Carral-Menoyo, Nuria Sotomayor, Esther Lete  Microwave assisted Cobalt(III)-catalysed C-H aminocarbonylation reactions with isocyanates for the synthesis of thiophenecarboxamides Organic & Biomolecular Chemistry,  2025;  23 (31),  7283 - 7293
• Borja Taboada-Seras, Carlos Santiago, Eider Sustatxa, Asier Carral-Menoyo, Nuria Sotomayor, Esther Lete  Microwave assisted Cobalt(III)-catalysed C-H aminocarbonylation reactions with isocyanates for the synthesis of thiophenecarboxamides ChemRXiv,  2025
• Brenda Fundora, Asier Carral-Menoyo, Mikel Martinez-Nunes, Sheila Brown, Urtzi Calderón, Yeray Ferrero, Yaneris Martinez-Mendizábal, Nuria Sotomayor, Enrique Gómez-Bengoa, Esther Lete  Axial chirality control through Palladium-catalysed C-H alkenylation reactions. Atroposelective synthesis of 4-arylquinolin-2(1H)-ones ChemRXiv,  2025
• Emilia Vásquez-Domínguez, Shan He, Carlos Santolaria, Sonia Arrasate, and Humberto González-Díaz  IFPTML Multi-Output Model for Anti-Retroviral Compounds Including the Drug Structure and Target Protein Sequence Information Journal of Chemical Information and Modeling,  2025;  65,  4353 - 4366
• Leire Llona, Ane Ibañez, Humberto González Díaz, Harbil Bediaga, Sonia Arrasate  Adimen Artifiziala. PTIA eredu kimioinformatikoa endekapenezko gaixotasun neurologikoen kontrako botikak aurkitzeko Ekaia: Euskal Herriko Unibertsitateko zientzi eta teknologi aldizkaria,  2025;  93 - 112
• Maider Baltasar-Marchueta, Naia López, Sara Alicante, Iratxe Barbolla, Markel Garcia Ibarluzea Rafael Ramis, Ane Miren Salomon, Arantza Muguruza-Montero, Eider Nuñez Viadero, Aritz Leonardo Sonia Arrasate, Nuria Sotomayor, Matthew M Montemore, Alvaro Villarroel, Aitor Bergara, Esther Lete, Humberto González-Díaz  Machine Learning Approach for Predicting Drug-Like Molecules Targeting Calmodulin Pathway Proteins Journal of Chemical Information and Modelling,  2025;  65,  11892 - 11907
• Shan He, Ander Barón, Cristian R. Munteanu, Begoña de Bilbao, Gerardo M. Casañola-Martin, Mariana Chelu, Adina Magdalena Musuc, Harbil Bediaga, Estefania Ascencio, Idoia Castellanos-Rubio, Sonia Arrasate, Alejandro Pazos, Maite Insausti, Bakhtiyor Rasulev, Humberto González-Díaz  Drug Release Nanoparticle System Design: Data Set Compilation and Machine Learning Modeling ACS Applied Materials & Interfaces,  2025;  17,  5290 - 5306
• Asier Carral-Menoyo, Iratxe Barbolla, Carlos Santiago, Martín Espinel, Nuria Sotomayor, Enrique Gómez-Bengoa, Esther Lete  Directed C-H Allylation of Aromatic Carboxamides with Allyl Aryl Ethers under Cp*Co(III)-Catalysis European Journal of Organic Chemistry,  2024;  27, e202301090
• Asier Larrea-Sebal, Iñaki Sasiain, ShifaJebari-Benslaiman, Unai Galicia-Garcia, Kepa B. Uribe, Asier Benito-Vicente, Irene Gracia-Rubio, HarbilBediaga-Bañeres, Sonia Arrasate, Ana Cenarro, Fernando Civeira, Humberto González-Díaz, César Martín  OptiMo-LDLr: An Integrated In Silico Model with Enhanced Predictive Power for LDL Receptor Variants, Unraveling Hot Spot Pathogenic Residues Advanced Science,  2024;  11(13), 2305177
• Ling Xue, Rajeev Singla, Shan He., Sonia Arrasate, Humberto González-Díaz, Liyan Miao, Bairong Shen  Warfarin–A natural anticoagulant: A review of research trends for precision medication Phytomedicine,  2024;  128, 155479
• Maider Baltasar-Marchueta, Leire Llona, Sara M-Alicante, Iratxe Barbolla, Markel Garcia Ibarluzea, Rafael Ramis, Ane Miren Salomon, Brenda Fundora, Ariane Araujo, Arantza Muguruza-Montero, Eider Nuñez, Scarlett Pérez-Olea, Christian Villanueva, Aritz Leonardo, Sonia Arrasate, Nuria Sotomayor, Alvaro Villarroel, Aitor Bergara, Esther Lete, Humberto González-Díaz  Identification of Riluzole derivatives as novel calmodulin inhibitors with neuroprotective activity by a joint synthesis, biosensor, and computational guided strategy Biomedicine & Pharmacotherapy,  2024;  174, 116602
• Paula Carracedo-Reboredo, Eider Aranzamendi, Shan He, Sonia Arrasate, Cristian R. Munteanu, Carlos Fernandez-Lozano,Nuria Sotomayor, Esther Lete, Humberto González-Díaz  MATEO: InterMolecular a-Amidoalkylation Theoretical Enantioselectivity Optimization. Online Tool for Selection and Design of Chiral Catalysts and Products Journal of Cheminformatics,  2024;  16, 9
• Yendrek Velásquez-López, Andrea Ruiz-Escudero, Sonia Arrasate, Humberto González-Díaz  Implementation of IFPTML Computational Models in Drug Discovery Against Flaviviridae Family Journal of Chemical Information and Modeling,  2024;  64 (6),  1841 - 1852
• Asier Carral-Menoyo, Nuria Sotomayor, Esther Lete  Palladium-Catalyzed Oxidative Arene C-H Alkenylation Reactions Involving Olefins Trends in Chemistry,  2022;  4,  495 - 511
• Carlos Santiago, Xabier Jiménez-Aberasturi, Eztizen Leicea, Marta G. Lete, Nuria Sotomayor, and Esther Lete  Microwave-assisted Palladium catalysed C-H acylation with aldehydes. Synthesis and diversification of 3-acylthiophenes Organic & Biomolecular Chemistry,  2022;  20,  852 - 861
• Carlos Santiago, Bernabé Ortega-Tenezaca, Iratxe Barbolla, Brenda Fundora-Ortiz, Sonia Arrasate, María Auxiliadora Dea-Ayuela, Humberto González-Díaz, Nuria Sotomayor, Esther Lete  Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives J. Chem. Inf. Model.,  2022;  62, 16,  3928 - 3940
• Deyani Nocedo-Mena, Sonia Arrasate, Elvira Garza-González, Verónica M. Rivas-Galindo, Antonio Romo-Mancillas, Cristian R. Munteanu, Nuria Sotomayor, Esther Lete, Iratxe Barbolla, César A. Martín, María del Rayo Camacho-Corona  Molecular docking, SAR analysis and biophysical approaches in the study of the antibacterial activity of ceramides isolated from Cissus incisa Bioorganic Chemistry,  2021;  109, 104745
• Iratxe Barbolla, Leidi Hernández-Suárez, Viviana Quevedo-Tumailli, Deyani Nocedo-Mena, Sonia Arrasate, María Auxiliadora Dea-Ayuela, Humberto González-Díaz, Nuria Sotomayor, Esther Lete  Palladium-mediated Synthesis and Biological Evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as Antileishmanial Agents Eur. J. Med. Chem,  2021;  220, 113458
• Verónica Ortiz-de-Elguea, Asier Carral-Menoyo, Lorena Simón-Vidal, Mikel Martinez-Nunes, Iratxe Barbolla, Marta G. Lete, Nuria Sotomayor, Esther Lete  Pd(II)-Catalyzed Fujiwara-Moritani Reactions for the Synthesis and Functionalization of Substituted Coumarins ACS Omega,  2021;  6,  29483 - 29494