Antonio Viayna Gaza

Antonio Viayna Gaza

Lecturer Professor

ORCID: 0000-0002-2112-5828
Scopus Author ID: 57194626219
Researcher ID: AAY-6885-2021
Knowledge area: Química Física

Contact Information
Department of Pharmacy and Pharmaceutical Technology and Physical Chemistry
Avinguda Prat de la Riba, 171
653367313
toniviayna(a)ub.edu

Academic training

Graduat en Farmàcia
Doctor en Farmàcia
Máster en Industria Farmaceutica y Parafarmaceutica

Research interests

Computational Estimation of Physicochemical Properties in Small Molecules
Protein Behaviour and Interaction with Bioactive Molecules
Development of inhibitors of G6PD against Plasmodium falciparum for Malaria disease
Computational toxicology
Hydrophobicity/Lipophilicty of proteins and small molecules

Projects

Biologia Computacional i Disseny de Fàrmacs . 2017 - 2021 . Ref.2017SGR1746 . Agència de Gestió d'Ajuts Universitaris i de Recerca (AGAUR) . PI: Francisco Javier Luque Garriga
Xarxa per a la transferència de tecnologies de supercomputació d altes prestacions a la societat (X4HPC) . 2023 - 2025 . Ref.2021 XARDI 00016 . Departament d'Empresa i Coneixement. Generalitat de Catalunya . PI: Anna Escoda Sabater
Identificación, síntesis y evaluación toxicológica de molécula propia antidetonante . 2018 - 2019 . Ref.309799 . Repsol YPF, S.A. . PI: Francisco Javier Luque Garriga
Biologia Computacional i Disseny de Fàrmacs . 2022 - 2026 . Ref.2021 SGR 00671 . Agència de Gestió d'Ajuts Universitaris i de Recerca (AGAUR) . PI: Francisco Javier Luque Garriga
Banc d’Ingredients Tecnològics (BIT): una eina digital d’aprenentatge actiu pels ensenyaments del Campus de l’Alimentació . 2023 - 2025 . Programa Rimda . PI: Mariluz Latorre Moratalla
Diseño y ejecución de un estudio mecanocuántico del proceso de solubilidad y reducción de quinonas y compuestos relacionados en diversos medios . 2017 - 2018 . Repsol, S.A. . PI: Francisco Javier Luque Garriga
Predicción de Perfiles Físico-Químicos y Diseño Racional de Compuestos Bioactivos Asistidas por Métodos in Silico . 2022 - 2024 . Ref.Pyr01-2095-2020 . Universidad de Costa Rica . PI: William Jesús Zamora Ramírez
Exploración de nuevas dianas y estrategias multidiana para el diseño de compuestos contra enfermedades infecciosas y prevalentes . 2015 - 2017 . Ref.SAF2014-57094-R . Ministerio de Economía y Competitividad . PI: Francisco Javier Luque Garriga; Diego Muñoz-Torrero López-Ibarra
Grup pre-Tecnio: ITMAS (Innovació Tecnològica multidisciplinàriaen Alimentació i Salut) . 2024 - 2025 . Ref.012257 . Generalitat de Catalunya. ACC10. TECNIO. . PI: M. Carmen Vidal Carou

Relevant publications

Alencar, N.; Sola, I.; Linares, M.; Juárez-Jiménez, J.; Pont, C.; Viayna, A.; Vílchez, D.; Sampedro, C.; Abad, P.; Pérez-Benavente, S.; Lameira, J.; Bautista, J. M.; Muñoz-Torrero, D.; Luque, F. J. First homology model of Plasmodium falciparum glucose-6-phosphate dehydrogenase: Discovery of selective substrate analog-based inhibitors as novel antimalarial agents. In European Journal of Medicinal Chemistry. Volume 146. 2018 . https://doi.org/10.1016/j.ejmech.2018.01.044
Viayna, A.; Antermite, S.; de Candia, M.; Altomare, C. D.; Luque, F. J. Interplay between ionization and tautomerism in bioactive β-enamino ester-containing cyclic compounds: Study of annulated 1,2,3,6-tetrahydroazocine derivatives. In Journal of Physical Chemistry B. Volume 124. 2019 . Institutional Repository
Viayna, A.; Pinheiro, S.; Curutchet, C.; Luque, F. J.; Zamora, W. J. Prediction of n‐octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM‐MST model. In Journal of Computer-Aided Molecular Design. Volume 35. 2021 . Institutional Repository
Viayna, A.; Ghashghaei, O.; Vílchez, D.; Estarellas, C.; López, M.; Gómez-Catalán, J.; Lavilla, R.; Delgado, J.; Luque, F. J. Holistic approach to anti-knock agents: A high-throughput screening of aniline-like compounds. In Fuel. Volume 305. 2021 . Institutional Repository
Alvarez-Berbel, I.; Espargaró, A.; Viayna, A.; Caballero, A. B.; Busquets, M. A.; Gamez, P.; Luque, F. J.; Sabate, R. Three to tango: Inhibitory Effect of quercetin and apigenin on acetylcholinesterase, amyloid-β aggregation and acetylcholinesterase-amyloid interaction. In Pharmaceutics. Volume 14. Number 11. 2022 . Institutional Repository
Zamora, W. J.; Viayna, A.; Pinheiro, S.; Curutchet, C.; Bisbal, L.; Ruiz, R.; Ràfols, C.; Luque, F. J. Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models. In Physical Chemistry Chemical Physics. Volume 25. Number 27. 2023 . Institutional Repository
Nadal Rodríguez, P.; Hartung, F.; Pedrola, M.; Coomar, S.; Diaz-Moreno, A.; Hätälä, A. M.; Rolfes, K. M.; Sánchez-Vera; Joan Gil, I.; Elies Molins, G.; Viayna, A.; Hanzl, A.; Thomä, N. H.; Haarmann-Stemmann, T.; Luque, F. J.; Lavilla, R.; Ghashghaei, O. A multicomponent reaction-based platform opens new avenues in Aryl Hydrocarbon Receptor modulation. In ACS Central Science. Number 11. 2025 . Institutional Repository
Jiang Xiangyi; Li Jing; Viayna Antonio; Luque F. Javier; Woodson Molly; Jing Lanlan; Gao Shenghua; Zhao Fabao; Xie Minghui; Toth Karoly; Tavis John; Tollefson Ann E.; Liu Xinyong; Zhan Peng. Identification of novel 123-triazole isatin derivatives as potent SARS-CoV-2 3CLpro inhibitors via click-chemistry-based rapid screening. In Rsc Medicinal Chemistry. Volume 14. Number 10. 2023 . https://doi.org/10.1039/d3md00306j
de Candia, M.; Titov, A. A.; Viayna, A.; Kulikova, L. N.; Purgatorio, R.; Piergiovanni , B.; Niso, M.; Catto, M.; Voskressensky, L. G.; Luque, F. J.; Altomare, C. D. In-vitro and in-silico studies of annelated 1,4,7,8-tetrahydroazocine ester derivatives as nanomolar selective inhibitors of human butyrylcholinesterase. In Chemico-Biological Interactions. Volume 386. 2023 . https://doi.org/10.1016/j.cbi.2023.110741
Viayna, A.; Matamoros, P.; Blázquez-Ruano, D.; Zamora, W.J. From canonical to unique: extension of a lipophilicity scale of amino acids to non-standard residues. In Exploration of Drug Science. Volume 2. 2024 . https://doi.org/10.37349/eds.2024.00053

Other activities

In June of 2016, framed in the congress 'III Simposio de Jóvenes Investigadores de la Sociedad Española de Química Terapéutica (SEQT)' organized by SEQT in Barcelona, I recived the 'Best Poster Award' for my poster entitled 'Conformational landscape of small ligands: A Multilevel strategy to determine the conformational penalty of bioactive ligands'
In March of 2019, I participated in the 3-Minutes Thesis (3MT) Video Contest. The title of my presentation was 'Searching for the perfect key to close a door: Discovery and design of selective glucose-6-phosphate dehydrogenase inhibitors against Malaria's disease'. In this edition I was the winner of all the candidates that presented in the Universitat de Barcelona, and I was the candidate to represent the UB in the Coimbra Group
Best Poster Award in the "III Simposio de Jóvenes Investigadores de la Sociedad Española de Química Terapéutica"
Best 3-minutes-video thesis Award in the 3 minutes (3MT) contest from the University of Barcelona and participation as a representative of the UB in the Coimbra Group
Ajuts de Personal Investigador pre-doctoral en Formació (APIF)
AJUTS PER A ESTUDIS O PROJECTES FORA DE CATALUNYA DE LA FUNDACIÓ PEDRO I PONS PER REALITZAR UNA ESTADA A ARGENTINA
Acreditacio com a Professor Lector segons la AQU

Patents, Software and Database

Toluene/water partition coefficient database https://zenodo.org/record/7884699 (---, 01/05/2023)