Antonio Viayna

Lecturer

University of Barcelona

Spain

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About

Antonio Viayna is a Lecturer at the Universitat de Barcelona, Spain. His research focuses on computational chemistry, lipophilicity scales, and the design of inhibitors for human enzymes and viral targets. Recent articles include studies on novel 1,2,3-triazole isatin derivatives as SARS-CoV-2 inhibitors and computational simulations of lipophilicity for non-coded amino acids.

Articles (10)

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2024

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2023

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2023

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2023

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2023

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2022

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2022

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2021

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2021

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2020

Collaborators (4)

F. Javier Luque

University of Barcelona

SPAIN

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Raimon Sabate

University of Barcelona

SPAIN

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Alba Espargaró

Lecturer

University of Barcelona

SPAIN

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ANA B. CABALLERO

Associate Professor

University of Barcelona

SPAIN

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Antonio Viayna

Research Interests

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Articles (10)

From canonical to unique: extension of a lipophilicity scale of amino acids to non-standard residues

Identification of novel 1,2,3-triazole isatin derivatives as potent SARS-CoV-2 3CLpro inhibitors via click-chemistry-based rapid screening

Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models

In-vitro and in-silico studies of annelated 1,4,7,8-tetrahydroazocine ester derivatives as nanomolar selective inhibitors of human butyrylcholinesterase

Prediction of Toluene/Water Partition Coefficient in the SAMPL9 Blind Challenge: Assessment of Machine Learning and IEF-PCM/MST Continuum Solvation Models

Three to Tango: Inhibitory Effect of Quercetin and Apigenin on Acetylcholinesterase, Amyloid-β Aggregation and Acetylcholinesterase-Amyloid Interaction

Towards an Understanding of the Lipophilicity of Non-Coded Amino Acids: Computational Simulations of Proline Analogs

Holistic approach to anti-knock agents: A high-throughput screening of aniline-like compounds

Prediction of n-octanol/water partition coefficients and acidity constants (pK<inf>a</inf>) in the SAMPL7 blind challenge with the IEFPCM-MST model

Interplay between Ionization and Tautomerism in Bioactive β-Enamino Ester-Containing Cyclic Compounds: Study of Annulated 1,2,3,6-Tetrahydroazocine Derivatives

Collaborators (4)

F. Javier Luque

Raimon Sabate

Alba Espargaró

ANA B. CABALLERO

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