Original articles in indexed journals - Systems Pharmacology

Falaguera M, Mestres J. Illuminating the Chemical Space of Untargeted Proteins. Journal of Chemical Information and Modeling, 2023. . PMID: 37074232 . DOI: 10.1021/acs.jcim.2c01364.

2023

PhD Thesis - Systems Pharmacology

Falaguera MJ. Illuminating the chemical space of therapeutical relevance: from pharmaceutical patents to untargeted proteins. Universitat Pompeu Fabra. April, 26th 2022. Thesis Director: Mestres J.

2022

Original articles in indexed journals - Systems Pharmacology

Gray B, Baruteau AE, Antolin AA, Pittman A, Sarganas G, Molokhia M, Blom MT, Bastiaenen R, Bardai A, Priori SG, Napolitano C, Weeke PE, Shakir SA, Haverkamp W, Mestres J, Winkel B, Witney AA, Chis-Ster I, Sangaralingam A, Camm AJ, Tfelt-Hansen J, Roden DM, Tan HL, Garbe E, Sturkenboom M, Behr ER. Rare Variation in Drug Metabolism and Long QT Genes and the Genetic Susceptibility to Acquired Long QT Syndrome. Circ Genom Precis Med, 2022; 15(1):e003391. PMID: 35113648 . DOI: 10.1161/CIRCGEN.121.003391.

2022

Original articles in indexed journals - Systems Pharmacology

Zahoránszky-Kőhalmi G, Siramshetty VB, Kumar P, Gurumurthy M, Grillo B, Mathew B, Metaxatos D, Backus M, Mierzwa T, Simon R, Grishagin I, Brovold L, Mathé EA, Hall MD, Michael SG, Godfrey AG, Mestres J, Jensen LJ, Oprea TI. A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research. J Chem Inf Model, 2022. PMID: 35057621 . DOI: 10.1021/acs.jcim.1c00431.

2022

Original articles in indexed journals - Systems Pharmacology

Falaguera MJ, Mestres J. Congenericity of Claimed Compounds in Patent Applications. Molecules, 2021; 30;26(17): 5253. PMID: 34500686 . DOI: 10.3390/molecules26175253.

2021

Original articles in indexed journals - Systems Pharmacology

Faria M, Prats E, Rosas Ramírez JR, Bellot M, Bedrossiantz J, Pagano M, Valls A, Gomez-Canela C, Porta JM, Mestres J, Garcia-Reyero N, Faggio C, Gómez Oliván LM, Raldua D. Androgenic activation, impairment of the monoaminergic system and altered behavior in zebrafish larvae exposed to environmental concentrations of fenitrothion. Sci Total Environ, 2021; 775:145671. PMID: 33621872 . DOI: 10.1016/j.scitotenv.2021.145671.

2021

Original articles in indexed journals - Systems Pharmacology

Falaguera MJ, Mestres J. Identification of the Core Chemical Structure in SureChEMBL Patents. J Chem Inf Model, 2021; 24;61(5): 2241-2247. PMID: 33929850 . DOI: 10.1021/acs.jcim.1c00151.

2021

Original articles in indexed journals - Systems Pharmacology

Sánchez-Cruz N, Medina-Franco JL, Mestres J, Barril X. Extended connectivity interaction features: improving binding affinity prediction through chemical description. Bioinformatics, 2021; 37(10):1376-1382. PMID: 33226061 . DOI: 10.1093/bioinformatics/btaa982.

2021

PhD Thesis - Systems Pharmacology

Bofill A. The impact of the human endogenous metabolome on drug pharmacology and safety. Universitat Pompeu Fabra. March, 9th 2021. Thesis Director: Mestres J, Jalencas X

2021

Original articles in indexed journals - Systems Pharmacology

Johnson C, Ahlberg E, Anger LT et al (including Mestres J). Skin sensitization in silico protocol. Regul Toxicol Pharmacol, 2020; 116:104688. PMID: 32621976 . DOI: 10.1016/j.yrtph.2020.104688.

2020