| Synthesis, biological evaluation, and molecular modeling of donepezil and N-[(5-(benzyloxy)-1-methyl-1 H-indol-2-yl) methyl]-N-methylprop-2-yn-1-amine hybrids as new … I Bolea, J Juárez-Jiménez, C de los Rı́os, M Chioua, R Pouplana, ... Journal of medicinal chemistry 54 (24), 8251-8270, 2011 | 245 | 2011 |
| Synthesis and multi-target biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents E Viayna, I Sola, M Bartolini, A De Simone, C Tapia-Rojas, FG Serrano, ... Journal of Medicinal Chemistry, 2014, vol. 57, num. 6, p. 2549-2567, 2014 | 157 | 2014 |
| Investigating Cryptic Binding Sites by Molecular Dynamics Simulations A Kuzmanic, GR Bowman, J Juarez-Jimenez, J Michel, FL Gervasio Accounts of Chemical Research 53 (3), 654-661, 2020 | 132 | 2020 |
| Exploring the size limit of templates for inhibitors of the M2 ion channel of influenza A virus MD Duque, C Ma, E Torres, J Wang, L Naesens, J Juárez-Jiménez, ... Journal of medicinal chemistry 54 (8), 2646-2657, 2011 | 87 | 2011 |
| Tetrahydrobenzo [h][1, 6] naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies O Di Pietro, FJ Pérez-Areales, J Juárez-Jiménez, A Espargaró, MV Clos, ... European journal of medicinal chemistry 84, 107-117, 2014 | 70 | 2014 |
| Easily accessible polycyclic amines that inhibit the wild-type and amantadine-resistant mutants of the M2 channel of influenza A virus M Rey-Carrizo, M Barniol-Xicota, C Ma, M Frigolé-Vivas, E Torres, ... Journal of medicinal chemistry 57 (13), 5738-5747, 2014 | 64 | 2014 |
| The complex of hypericin with β-lactoglobulin has antimicrobial activity with potential applications in dairy industry B Rodríguez-Amigo, P Delcanale, G Rotger, J Juárez-Jiménez, ... Journal of dairy science 98 (1), 89-94, 2015 | 54 | 2015 |
| 1, 2, 3, 4-Tetrahydrobenzo [h][1, 6] naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological … O Di Pietro, E Viayna, E Vicente-García, M Bartolini, R Ramón, ... European Journal of Medicinal Chemistry 73, 141-152, 2014 | 53 | 2014 |
| Design, synthesis and biological evaluation of N-methyl-N-[(1, 2, 3-triazol-4-yl) alkyl] propargylamines as novel monoamine oxidase B inhibitors O Di Pietro, N Alencar, G Esteban, E Viayna, N Szałaj, J Vázquez, ... Bioorganic & Medicinal Chemistry 24 (20), 4835-4854, 2016 | 40 | 2016 |
| Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer’s Disease S Codony, C Pont, C Griñán-Ferré, A Di Pede-Mattatelli, C Calvó-Tusell, ... Journal of Medicinal Chemistry, 2022 | 35 | 2022 |
| A fluorogenic probe for granzyme B enables in-biopsy evaluation and screening of response to anticancer immunotherapies JI Scott, L Mendive-Tapia, D Gordon, ND Barth, EJ Thompson, Z Cheng, ... Nature communications 13 (1), 1-11, 2022 | 32 | 2022 |
| Blinded predictions of binding modes and energies of HSP90-α ligands for the 2015 D3R grand challenge ASJS Mey, J Juárez-Jiménez, A Hennessy, J Michel Bioorganic & Medicinal Chemistry 24 (20), 4890-4899, 2016 | 32 | 2016 |
| Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations ASJS Mey, JJ Jiménez, J Michel Journal of computer-aided molecular design 32 (1), 199-210, 2018 | 29 | 2018 |
| Mechanism of the pseudoirreversible binding of amantadine to the M2 proton channel S Llabrés, J Juárez-Jiménez, M Masetti, R Leiva, S Vázquez, S Gazzarrini, ... Journal of the American Chemical Society 138 (47), 15345-15358, 2016 | 28 | 2016 |
| New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding mode M Rey-Carrizo, S Gazzarrini, S Llabrés, M Frigolé-Vivas, ... European journal of medicinal chemistry 96, 318-329, 2015 | 25 | 2015 |
| Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors O Di Pietro, J Juarez-Jimenez, D Munoz-Torrero, CA Laughton, FJ Luque PloS one 12 (5), e0177683, 2017 | 23 | 2017 |
| Exploring the structural basis of the selective inhibition of monoamine oxidase A by dicarbonitrile aminoheterocycles: Role of Asn181 and Ile335 validated by spectroscopic and … J Juárez-Jiménez, E Mendes, C Galdeano, C Martins, DB Silva, ... Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1844 (2), 389-397, 2014 | 23 | 2014 |
| A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors A De Simone, C Georgiou, H Ioannidis, AA Gupta, J Juárez-Jiménez, ... Chemical Science 10 (2), 542-547, 2019 | 22 | 2019 |
| Assessing the suitability of the multilevel strategy for the conformational analysis of small ligands J Juárez-Jiménez, X Barril, M Orozco, R Pouplana, FJ Luque The Journal of Physical Chemistry B 119 (3), 1164-1172, 2015 | 22 | 2015 |
| Dynamic design: manipulation of millisecond timescale motions on the energy landscape of Cyclophilin A J Juárez-Jiménez, AA Gupta, G Karunanithy, ASJS Mey, C Georgiou, ... Chemical Science 11 (10), 2670-2680, 2020 | 21 | 2020 |
Javier LuqueUniversity of Barcelona - Institut of BiomedicineDirección de correo verificada de ub.edu
