Aleix Gimeno

发表

The Light and Dark Sides of Virtual Screening: What Is There to Know?

Adrià Cereto-Massagué, Miquel Mulero, Gerard Pujadas, 2019, International journal of molecular sciences.

Understanding the variability of the S1' pocket to improve matrix metalloproteinase inhibitor selectivity profiles.

Miquel Mulero, Gerard Pujadas, Santiago Garcia-Vallvé, 2019, Drug discovery today.

Ephedrine as a lead compound for the development of new DPP-IV inhibitors.

Adrià Cereto-Massagué, Cristina Valls, M. Mulero, 2017, Future medicinal chemistry.

Combined Ligand‐ and Receptor‐Based Virtual Screening Methodology to Identify Structurally Diverse Protein Tyrosine Phosphatase 1B Inhibitors

Adrià Cereto-Massagué, Cristina Valls, M. Mulero, 2018, ChemMedChem.

Anti-inflammatory and Proapoptotic Properties of the Natural Compound o-Orsellinaldehyde.

Adrià Cereto-Massagué, Cristina Valls, M. Mulero, 2018, Journal of agricultural and food chemistry.

Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs

Victor R. Martinez, P. Aloy, Roi Blanco, 2020, J. Chem. Inf. Model..

Mining large databases to find new leads with low similarity to known actives: application to find new DPP-IV inhibitors.

Gerhard Wolber, Adrià Cereto-Massagué, Cristina Valls, 2019, Future medicinal chemistry.

Haste makes waste: A critical review of docking‐based virtual screening in drug repurposing for SARS‐CoV‐2 main protease (M‐pro) inhibition

Adrià Cereto-Massagué, S. Garcia-Vallvé, G. Pujadas, 2021, Medicinal research reviews.

Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition

Adrià Cereto-Massagué, Gerard Pujadas, Santiago Garcia-Vallvé, 2020, International journal of molecular sciences.

Activity and selectivity cliffs for DPP‐IV inhibitors: Lessons we can learn from SAR studies and their application to virtual screening

Adrià Cereto-Massagué, Miquel Mulero, Gerard Pujadas, 2018, Medicinal research reviews.

Identification of Broad-Spectrum MMP Inhibitors by Virtual Screening

M. Mulero, S. Garcia-Vallvé, G. Pujadas, 2021, Molecules.

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

M. Mulero, G. Pujadas, R. Beltrán-Debón, 2021, Pharmaceutics.

Identification of N-Acyl Hydrazones as New Non-Zinc-Binding MMP-13 Inhibitors by Structure-Based Virtual Screening Studies and Chemical Optimization

G. Pujadas, S. Nencetti, E. Nuti, 2023, International journal of molecular sciences.