D
David Ortega-Alarcon
Researcher at University of Zaragoza
Publications - 19
Citations - 291
David Ortega-Alarcon is an academic researcher from University of Zaragoza. The author has contributed to research in topics: Chemistry & Biology. The author has an hindex of 4, co-authored 12 publications receiving 118 citations.
Papers
More filters
Journal ArticleDOI
Structural stability of SARS-CoV-2 3CLpro and identification of quercetin as an inhibitor by experimental screening.
Olga Abian,David Ortega-Alarcon,Ana Jiménez-Alesanco,Laura Ceballos-Laita,Sonia Vega,Hugh T. Reyburn,Bruno Rizzuti,Adrián Velázquez-Campoy +7 more
TL;DR: Quercetin, with well-known pharmacokinetic and ADMET properties, can be considered as a good candidate for further optimization and development, or repositioned for COVID-19 therapeutic treatment.
Journal ArticleDOI
Rutin Is a Low Micromolar Inhibitor of SARS-CoV-2 Main Protease 3CLpro: Implications for Drug Design of Quercetin Analogs
Bruno Rizzuti,Fedora Grande,Filomena Conforti,Ana Jiménez-Alesanco,Laura Ceballos-Laita,David Ortega-Alarcon,Sonia Vega,Hugh T. Reyburn,Olga Abian,Adrián Velázquez-Campoy +9 more
TL;DR: In this article, the authors used rutin, a natural flavonoid that is the most common glycosylated conjugate of quercetin, as a model combining experimental (spectroscopy and calorimetry) and simulation techniques (docking and molecular dynamics simulations).
Journal ArticleDOI
Seleno-Functionalization of Quercetin Improves the Non-Covalent Inhibition of M pro and Its Antiviral Activity in Cells against SARS-CoV-2.
Francesca Mangiavacchi,Pawel Botwina,Elena Menichetti,Luana Bagnoli,Ornelio Rosati,Francesca Marini,Sergio F. Fonseca,Laura Abenante,Diego Alves,Agnieszka Dabrowska,Anna Kula-Pacurar,David Ortega-Alarcon,Ana Jiménez-Alesanco,Laura Ceballos-Laita,Sonia Vega,Bruno Rizzuti,Olga Abian,Eder J. Lenardão,Adrián Velázquez-Campoy,Krzysztof Pyrc,Luca Sancineto,Claudio Santi +21 more
TL;DR: In this article, the effect of organoselenium functionalities in the C-8 seleno-quercetin derivatives was explored, and it was shown that a hydrogen bond between the selenium atom and Gln189 residue in the catalytic pocket could explain the higher Mpro activity of 2d and, as a result, its better antiviral profile.
Journal ArticleDOI
Reproducibility and accuracy of microscale thermophoresis in the NanoTemper Monolith: a multi laboratory benchmark study
Blanca López-Méndez,Bruno Baron,Chad A. Brautigam,Thomas A. Jowitt,Stefan H. Knauer,Stephan Uebel,Mark A. Williams,Arthur Sedivy,Olga Abian,Celeste Abreu,Malgorzata Adamczyk,Wojciech Bal,Sylvie Berger,Alexander K. Buell,Carlo Carolis,Tina Daviter,Alexander Fish,Maria Garcia-Alai,Christian Guenther,Josef Hamacek,Jitka Holková,Josef Houser,Christopher M. Johnson,Sharon M. Kelly,Andrew P. Leech,Caroline Mas,Daumantas Matulis,Stephen H. McLaughlin,Roland Montserret,Rouba Nasreddine,Reine Nehmé,Quyen Nguyen,David Ortega-Alarcon,Kathryn Perez,Katja Pirc,Grzegorz Piszczek,Marjetka Podobnik,Natalia Rodrigo,Jasmina Rokov-Plavec,Susanne Schaefer,Timothy Sharpe,June Southall,David Staunton,Pedro Tavares,Ondrej Vanek,Michael Weyand,Di Wu +46 more
TL;DR: This study characterized the instrument properties and evaluated instrument performance, reproducibility, the effect of different analysis tools, the influence of the experimenter during data analysis, and thus the overall reliability of this method.
Journal ArticleDOI
Sub-Micromolar Inhibition of SARS-CoV-2 3CLpro by Natural Compounds.
Bruno Rizzuti,Bruno Rizzuti,Laura Ceballos-Laita,David Ortega-Alarcon,Ana Jiménez-Alesanco,Sonia Vega,Fedora Grande,Filomena Conforti,Olga Abian,Adrián Velázquez-Campoy +9 more
TL;DR: In this paper, the natural compound eugenol is shown to be able to hamper the enzymatic activity of 3CLpro, the SARS-CoV-2 main protease, with an inhibition constant in the sub-micromolar range (Ki = 0.81 μM).