Haste makes waste: A critical review of docking‐based virtual screening in drug repurposing for SARS‐CoV‐2 main protease (M‐pro) inhibition
Macip, Guillem, Garcia‐Segura, Pol, Mestres‐Truyol, Júlia, Saldivar‐Espinoza, Bryan, Ojeda‐Montes, María José, Gimeno, Aleix, Cereto‐Massagué, Adrià, Garcia‐Vallvé, Santiago, Pujadas, Gerard
Published in Medicinal Research Reviews (01.03.2022)
Published in Medicinal Research Reviews (01.03.2022)
Get full text
Journal Article
Web Resource
Activity and selectivity cliffs for DPP‐IV inhibitors: Lessons we can learn from SAR studies and their application to virtual screening
Ojeda‐Montes, María José, Gimeno, Aleix, Tomas‐Hernández, Sarah, Cereto‐Massagué, Adrià, Beltrán‐Debón, Raúl, Valls, Cristina, Mulero, Miquel, Pujadas, Gerard, Garcia‐Vallvé, Santiago
Published in Medicinal research reviews (01.11.2018)
Published in Medicinal research reviews (01.11.2018)
Get full text
Journal Article
The Light and Dark Sides of Virtual Screening: What Is There to Know?
Gimeno, Aleix, Ojeda-Montes, María José, Tomás-Hernández, Sarah, Cereto-Massagué, Adrià, Beltrán-Debón, Raúl, Mulero, Miquel, Pujadas, Gerard, Garcia-Vallvé, Santiago
Published in International journal of molecular sciences (19.03.2019)
Published in International journal of molecular sciences (19.03.2019)
Get full text
Journal Article
Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition
Gimeno, Aleix, Mestres-Truyol, Júlia, Ojeda-Montes, María José, Macip, Guillem, Saldivar-Espinoza, Bryan, Cereto-Massagué, Adrià, Pujadas, Gerard, Garcia-Vallvé, Santiago
Published in International journal of molecular sciences (27.05.2020)
Published in International journal of molecular sciences (27.05.2020)
Get full text
Journal Article
Identification of Broad-Spectrum MMP Inhibitors by Virtual Screening
Gimeno, Aleix, Cuffaro, Doretta, Nuti, Elisa, Ojeda-Montes, María José, Beltrán-Debón, Raúl, Mulero, Miquel, Rossello, Armando, Pujadas, Gerard, Garcia-Vallvé, Santiago
Published in Molecules (Basel, Switzerland) (28.07.2021)
Published in Molecules (Basel, Switzerland) (28.07.2021)
Get full text
Journal Article
Anti-inflammatory and Proapoptotic Properties of the Natural Compound o‑Orsellinaldehyde
Tomas-Hernandez, Sarah, Garcia-Vallvé, Santiago, Pujadas, Gerard, Valls, Cristina, Ojeda-Montes, María José, Gimeno, Aleix, Cereto-Massagué, Adrià, Roca-Martinez, Joel, Suárez, Manuel, Arola, Lluis, Blanco, Jordi, Mulero, Miquel, Beltran-Debón, Raúl
Published in Journal of agricultural and food chemistry (24.10.2018)
Published in Journal of agricultural and food chemistry (24.10.2018)
Get full text
Journal Article
Anti-Inflammatory and Immunomodulatory Effects of the Grifola frondosa Natural Compound o -Orsellinaldehyde on LPS-Challenged Murine Primary Glial Cells. Roles of NF-κβ and MAPK
Tomas-Hernandez, Sarah, Blanco, Jordi, Garcia-Vallvé, Santiago, Pujadas, Gerard, Ojeda-Montes, María José, Gimeno, Aleix, Arola, Lluís, Minghetti, Luisa, Beltrán-Debón, Raúl, Mulero, Miquel
Published in Pharmaceutics (28.05.2021)
Published in Pharmaceutics (28.05.2021)
Get full text
Journal Article
Resveratrol Potently Counteracts Quercetin Starvation‐Induced Autophagy and Sensitizes HepG2 Cancer Cells to Apoptosis
Tomas‐Hernández, Sarah, Blanco, Jordi, Rojas, Cristina, Roca‐Martínez, Joel, Ojeda‐Montes, María José, Beltrán‐Debón, Raúl, Garcia‐Vallvé, Santiago, Pujadas, Gerard, Arola, Lluís, Mulero, Miquel
Published in Molecular nutrition & food research (01.03.2018)
Published in Molecular nutrition & food research (01.03.2018)
Get full text
Journal Article
Combined Ligand‐ and Receptor‐Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors
Gimeno, Aleix, Ardid‐Ruiz, Andrea, Ojeda‐Montes, María José, Tomás‐Hernández, Sarah, Cereto‐Massagué, Adrià, Beltrán‐Debón, Raúl, Mulero, Miquel, Valls, Cristina, Aragonès, Gerard, Suárez, Manuel, Pujadas, Gerard, Garcia‐Vallvé, Santiago
Published in ChemMedChem (19.09.2018)
Published in ChemMedChem (19.09.2018)
Get full text
Journal Article
Ephedrine as a lead compound for the development of new DPP-IV inhibitors
Ojeda-Montes, María José, Ardid-Ruiz, Andrea, Tomás-Hernández, Sarah, Gimeno, Aleix, Cereto-Massagué, Adrià, Beltrán-Debón, Raúl, Mulero, Miquel, Garcia-Vallvé, Santiago, Pujadas, Gerard, Valls, Cristina
Published in Future medicinal chemistry (01.12.2017)
Published in Future medicinal chemistry (01.12.2017)
Get full text
Journal Article