Original articles in indexed journals - Systems Pharmacology

Speck-Planche A, Cordeiro MNDS. Speeding up Early Drug Discovery in Antiviral Research: a Fragment Based In Silico Approach for the Design of Virtual Anti-Hepatitis C Leads. ACS Comb Sci 2017; 19(8): 501-512 . PMID: 28437091 . DOI: 10.1021/acscombsci.7b00039.

2017

Original articles in indexed journals - Systems Pharmacology

Speck-Planche A, Cordeiro MNDS. Erratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins. Mol Divers, 2017; 21(3):525. PMID: 28766255 . DOI: 10.1007/s11030-017-9766-3.

2017

Original articles in indexed journals - Systems Pharmacology

Speck-Planche A1, Cordeiro MNDS. Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins. Mol Divers, 2017; 21(3): 511-523 . PMID: 28194627 . DOI: 10.1007/s11030-017-9731-1.

2017

Book chapters - Systems Pharmacology

Antolín AA, Mestres J. The polypharmacology gap between chemical biology and drug discovery. In Computational Tools for Chemical Biology. S. Martín-Santamaría (Ed.), Royal Society of Chemistry: London, 2017, Vol. 3, pp. 349-370

2017

Original articles in indexed journals - Systems Pharmacology

Saadeh HA, Khasawneh MA, Samadi A, El-Haty IA, Satala G, Bojarski AJ, Ismaili L, Bautista-Aguilera OM, Yanez M, Mestres J, Marco-Contelles J. Design, Synthesis and Biological Evaluation of Potent Antioxidant 1-(2,5-Dimethoxybenzyl)-4-arylpiperazines and N-Azolyl Substituted 2-(4-Arylpiperazin-1-yl). CHEMISTRYSELECT, 2017; 2 (13): 3854-3859 . PMID: . DOI: 10.1002/slct.201700397.

2017

Original articles in indexed journals - Systems Pharmacology

Anto JM, Bousquet J, Akdis M, Auffray C, Keil T, Momas I, Postma DS, Valenta R, Wickman M, Cambon-Thomsen A, Haahtela T, Lambrecht BN, Lodrup Carlsen KC, Koppelman GH, Sunyer J, Zuberbier T, Annesi-Maesano I, Arno A, Bindslev-Jensen C, De Carlo G, Forastiere F, Heinrich J, Kowalski ML, Maier D, Melén E, Smit HA, Standl M, Wright J, Asarnoj A, Benet M, Ballardini N, Garcia-Aymerich J, Gehring U, Guerra S, Hohmann C, Kull I, Lupinek C, Pinart M, Skrindo I, Westman M, Smagghe D, Akdis C, Andersson N, Bachert C, Ballereau S, Ballester F, Basagana X, Bedbrook A, Bergstrom A, von Berg A, Brunekreef B, Burte E, Carlsen KH, Chatzi L, Coquet JM, Curin M, Demoly P, Eller E, Fantini MP, von Hertzen L, Hovland V, Jacquemin B, Just J, Keller T, Kiss R, Kogevinas M, Koletzko S, Lau S, Lehmann I, Lemonnier N, Mäkelä M, Mestres J, Mowinckel P, Nadif R, Nawijn MC, Pellet J, Pin I, Porta D, Rancière F, Rial-Sebbag E, Saeys Y, Schuijs MJ, Siroux V, Tischer CG, Torrent M, Varraso R, Wenzel K, Xu CJ. Mechanisms of the Development of Allergy (MeDALL): Introducing novel concepts in allergy phenotypes. J Allergy Clin Immun, 2017; 139(2): 388-399 . PMID: 28183433 . DOI: 10.1016/j.jaci.2016.12.940.

2017

PhD Thesis - Systems Pharmacology

Olivés J. Endogenous Metabolites in Drug Discovery: from Plants to Human. Universitat Pompeu Fabra. January, 30th 2017. Thesis Director: Mestres J.

2017

Reviews in indexed journals - Systems Pharmacology - Computational Science

Ferruz N, Harvey MJ, Mestres J, De Fabritiis G. Insights from Fragment Hit Binding Assays by Molecular Simulations (vol 55, pg 2200, 2015). J Chem Inf Model, 2016; 56 (10):2123-2123 . PMID: 26376295 . DOI: 10.1021/acs.jcim.6b00557 OCT 2016.

2016

Original articles in indexed journals - Systems Pharmacology

Antolin AA, Workman P, Mestres J, Al-Lazikani B. Polypharmacology in Precision Oncology: Current Applications and Future Prospects. Curr Pharm Des, 2016; 22 (46): 6935-6945 . PMID: 27669965 . DOI: 10.1174/1381611811666160913115818 2016.

2016

Original articles in indexed journals - Systems Pharmacology

Van Voorhis WC, Adams JH, Adelfio R, Ahyong V, Akabas MH, Alano P, Alday A, Alemán Resto Y, Alsibaee A, Alzualde A, Andrews KT, Avery SV et al (including Mestres J). Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond. PLoS Pathog, 2016; 12(7): e1005763. . PMID: 27467575 . DOI: 10.1371/journal.ppat.1005763. eCollection 2016.

2016