Vazquez J, Ginex T, Herrero A, Morisseau C, Hammock BD, Luque FJ (2023) <br />Screening and Biological Evaluation of Soluble Epoxide Hydrolase Inhibitors: Assessing the Role of Hydrophobicity in the Pharmacophore-Guided Search of Novel Hits<br /><i>J Chem Inf Model</i> <br /><br />Alvarez-Berbel I, Espargaro A, Viayna A, Caballero AB, Busquets MA, Gamez P, Luque FJ, Sabate R (2022) <br />Three to Tango: Inhibitory Effect of Quercetin and Apigenin on Acetylcholinesterase, Amyloid- Aggregation and Acetylcholinesterase-Amyloid Interaction<br /><i>Pharmaceutics</i> <b>14</b>: <br /><br />Hofmann J, Ginex T, Espargaro A, Scheiner M, Gunesch S, Arago M, Stigloher C, Sabate R, Luque FJ, Decker M (2021) <br />Azobioisosteres of Curcumin with Pronounced Activity against Amyloid Aggregation, Intracellular Oxidative Stress, and Neuroinflammation<br /><i>Chemistry</i> <b>27</b>: 6015<br /><br />Pont C, Ginex T, Grinan-Ferre C, Scheiner M, Mattellone A, Martinez N, Arce EM, Soriano-Fernandez Y, Naldi M, De Simone A, Barenys M, Gomez-Catalan J, Perez B, Sabate R, Andrisano V, Loza MI, Brea J, Bartolini M, Bolognesi ML, Decker M, Pallas M, Luque FJ, Munoz-Torrero D (2021) <br />From virtual screening hits targeting a cryptic pocket in BACE-1 to a nontoxic brain permeable multitarget anti-Alzheimer lead with disease-modifying and cognition-enhancing effects<br /><i>Eur Journal of Medicinal Chemistry</i> <b>225</b>: 113779<br /><br />Perez-Areales FJ, Garrido M, Aso E, Bartolini M, De Simone A, Espargaro A, Ginex T, Sabate R, Perez B, Andrisano V, Puigoriol-Illamola D, Pallas M, Luque FJ, Loza MI, Brea J, Ferrer I, Ciruela F, Messeguer A, Munoz-Torrero D (2020) <br />Centrally Active Multitarget Anti-Alzheimer Agents Derived from the Antioxidant Lead CR-6<br /><i>Journal of Medicinal Chemistry</i> <b>63</b>: 9360<br /><br />Viayna A, Antermite SG, de Candia M, Altomare CD, Luque FJ (2020) <br />Interplay between Ionization and Tautomerism in Bioactive beta-Enamino Ester-Containing Cyclic Compounds: Study of Annulated 1,2,3,6-Tetrahydroazocine Derivatives<br /><i>J Phys Chem B</i> <b>124</b>: 28<br /><br />Perez-Areales FJ, Betari N, Viayna A, Pont C, Espargaro A, Bartolini M, De Simone A, Rinaldi Alvarenga JF, Perez B, Sabate R, Lamuela-Raventos RM, Andrisano V, Luque FJ, Munoz-Torrero D (2017) <br />Design, synthesis and multitarget biological profiling of second-generation anti-Alzheimer rhein-huprine hybrids<br /><i>Future Med Chem</i> <b>9</b>: 965<br /><br />Sola I, Aso E, Frattini D, Lopez-Gonzalez I, Espargaro A, Sabate R, Di Pietro O, Luque FJ, Clos MV, Ferrer I, Munoz-Torrero D (2015) <br />Novel Levetiracetam Derivatives That Are Effective against the Alzheimer-like Phenotype in Mice: Synthesis, in Vitro, ex Vivo, and in Vivo Efficacy Studies<br /><i>Journal of Medicinal Chemistry</i> <b>58</b>: 6018<br /><br />Di Pietro O, Perez-Areales FJ, Juarez-Jimenez J, Espargaro A, Clos MV, Perez B, Lavilla R, Sabate R, Luque FJ, Munoz-Torrero D (2014) <br />Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting beta-amyloid, tau, and cholinesterase pathologies<br /><i>Eur Journal of Medicinal Chemistry</i> <b>84C</b>: 107<br /><br />Perez-Areales FJ, Di Pietro O, Espargaro A, Vallverdu-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Perez B, Sabate R, Lamuela-Raventos RM, Luque FJ, Munoz-Torrero D (2014) <br />Shogaol-huprine hybrids: Dual antioxidant and anticholinesterase agents with beta-amyloid and tau anti-aggregating properties<br /><i>Bioorganic & Medicinal Chemistry</i> <b>22</b>: 5298<br /><br />Viayna E, Sola I, Bartolini M, De Simone A, Tapia-Rojas C, Serrano FG, Sabate R, Juarez-Jimenez J, Perez B, Luque FJ, Andrisano V, Clos MV, Inestrosa NC, Munoz-Torrero D (2014) <br />Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents<br /><i>Journal of Medicinal Chemistry</i> <b>57</b>: 2549<br /><br />Di Pietro O, Viayna E, Vicente-Garcia E, Bartolini M, Ramon R, Juarez-Jimenez J, Clos MV, Perez B, Andrisano V, Luque FJ, Lavilla R, Munoz-Torrero D (2013) <br />1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: Synthesis, pharmacological evaluation and mechanistic studies<br /><i>Eur Journal of Medicinal Chemistry</i> <b>73C</b>: 141<br /><br />Galdeano C, Viayna E, Sola I, Formosa X, Camps P, Badia A, Clos MV, Relat J, Ratia M, Bartolini M, Mancini F, Andrisano V, Salmona M, Minguillon C, Gonzalez-Munoz GC, Rodriguez-Franco MI, Bidon-Chanal A, Luque FJ, Munoz-Torrero D (2012) <br />Huprine-tacrine heterodimers as anti-amyloidogenic compounds of potential interest against Alzheimer's and prion diseases<br /><i>Journal of Medicinal Chemistry</i> <b>55</b>: 661<br /><br />Bolea I, Juarez-Jimenez J, de los Rios C, Chioua M, Pouplana R, Luque FJ, Unzeta M, Marco-Contelles J, Samadi A (2011) <br />Synthesis, biological evaluation, and molecular modeling of donepezil and N-[(5-(benzyloxy)-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine hybrids as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease<br /><i>Journal of Medicinal Chemistry</i> <b>54</b>: 8251<br /><br />Camps P, Formosa X, Galdeano C, Gomez T, Munoz-Torrero D, Ramirez L, Viayna E, Gomez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Bidon-Chanal A, Huertas O, Dafni T, Luque FJ (2010) <br />Tacrine-based dual binding site acetylcholinesterase inhibitors as potential disease-modifying anti-Alzheimer drug candidates<br /><i>Chemico-Biological Interactions</i> <b>187</b>: 411<br /><br />Galdeano C, Viayna E, Arroyo P, Bidon-Chanal A, Blas JR, Munoz-Torrero D, Luque FJ (2010) <br />Structural determinants of the multifunctional profile of dual binding site acetylcholinesterase inhibitors as anti-Alzheimer agents<br /><i>Curr Pharm Des</i> <b>16</b>: 2818<br /><br />Rayo J, Munoz L, Rosell G, Hammock BD, Guerrero A, Luque FJ, Pouplana R (2010) <br />Reactivity versus steric effects in fluorinated ketones as esterase inhibitors: a quantum mechanical and molecular dynamics study<br /><i>J Mol Model</i> <b>16</b>: 1753<br /><br />Viayna E, Gomez T, Galdeano C, Ramirez L, Ratia M, Badia A, Clos MV, Verdaguer E, Junyent F, Camins A, Pallas M, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodriguez-Franco MI, Bidon-Chanal A, Luque FJ, Camps P, Munoz-Torrero D (2010) <br />Novel huprine derivatives with inhibitory activity toward beta-amyloid aggregation and formation as disease-modifying anti-Alzheimer drug candidates<br /><i>ChemMedChem</i> <b>5</b>: 1855<br /><br />Camps P, Formosa X, Galdeano C, Munoz-Torrero D, Ramirez L, Gomez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodriguez-Franco MI, Huertas O, Dafni T, Luque FJ (2009) <br />Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds<br /><i>Journal of Medicinal Chemistry</i> <b>52</b>: 5365<br /><br />Camps P, Formosa X, Galdeano C, Gomez T, Munoz-Torrero D, Scarpellini M, Viayna E, Badia A, Clos MV, Camins A, Pallas M, Bartolini M, Mancini F, Andrisano V, Estelrich J, Lizondo M, Bidon-Chanal A, Luque FJ (2008) <br />Novel donepezil-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation<br /><i>Journal of Medicinal Chemistry</i> <b>51</b>: 3588<br /><br />Leon R, de los Rios C, Marco-Contelles J, Huertas O, Barril X, Luque FJ, Lopez MG, Garcia AG, Villarroya M (2008) <br />New tacrine-dihydropyridine hybrids that inhibit acetylcholinesterase, calcium entry, and exhibit neuroprotection properties<br /><i>Bioorganic & Medicinal Chemistry</i> <b>16</b>: 7759<br /><br />Camps P, Gomez E, Munoz-Torrero D, Badia A, Clos MV, Curutchet C, Munoz-Muriedas J, Luque FJ (2006) <br />Binding of 13-amidohuprines to acetylcholinesterase: exploring the ligand-induced conformational change of the gly117-gly118 peptide bond in the oxyanion hole<br /><i>Journal of Medicinal Chemistry</i> <b>49</b>: 6833<br /><br />Alonso D, Dorronsoro I, Rubio L, Munoz P, Garcia-Palomero E, del Monte M, Bidon-Chanal A, Orozco M, Luque FJ, Castro A, Medina M, Martinez A (2005) <br />Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE<br /><i>Bioorganic & Medicinal Chemistry</i> <b>13</b>: 6588<br /><br />Munoz-Ruiz P, Rubio L, Garcia-Palomero E, Dorronsoro I, del Monte-Millan M, Valenzuela R, Usan P, de Austria C, Bartolini M, Andrisano V, Bidon-Chanal A, Orozco M, Luque FJ, Medina M, Martinez A (2005) <br />Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer's disease<br /><i>Journal of Medicinal Chemistry</i> <b>48</b>: 7223<br /><br />Marco JL, de los Rios C, Garcia AG, Villarroya M, Carreiras MC, Martins C, Eleuterio A, Morreale A, Orozco M, Luque FJ (2004) <br />Synthesis, biological evaluation and molecular modelling of diversely functionalized heterocyclic derivatives as inhibitors of acetylcholinesterase/butyrylcholinesterase and modulators of Ca2+ channels and nicotinic receptors<br /><i>Bioorganic & Medicinal Chemistry</i> <b>12</b>: 2199<br /><br />Martin-Santamaria S, Munoz-Muriedas J, Luque FJ, Gago F (2004) <br />Modulation of binding strength in several classes of active site inhibitors of acetylcholinesterase studied by comparative binding energy analysis<br /><i>Journal of Medicinal Chemistry</i> <b>47</b>: 4471<br /><br />Munoz-Muriedas J, Lopez JM, Orozco M, Luque FJ (2004) <br />Molecular modelling approaches to the design of acetylcholinesterase inhibitors: new challenges for the treatment of Alzheimer's disease<br /><i>Curr Pharm Des</i> <b>10</b>: 3131<br /><br />Barril X, Kalko SG, Orozco M, Luque FJ (2002) <br />Rational design of reversible acetylcholinesterase inhibitors<br /><i>Mini Rev Med Chem</i> <b>2</b>: 27<br /><br />Dvir H, Wong DM, Harel M, Barril X, Orozco M, Luque FJ, Munoz-Torrero D, Camps P, Rosenberry TL, Silman I, Sussman JL (2002) <br />3D structure of Torpedo californica acetylcholinesterase complexed with huprine X at 2.1 A resolution: kinetic and molecular dynamic correlates<br /><i>Biochemistry</i> <b>41</b>: 2970<br /><br />Camps P, Gomez E, Munoz-Torrero D, Badia A, Vivas NM, Barril X, Orozco M, Luque FJ (2001) <br />Synthesis, in Vitro Pharmacology, and Molecular Modeling of syn-Huprines as Acetylcholinesterase Inhibitors<br /><i>Journal of Medicinal Chemistry</i> <b>44</b>: 4733<br /><br />Camps P, El Achab R, Morral J, Munoz-Torrero D, Badia A, Banos JE, Vivas NM, Barril X, Orozco M, Luque FJ (2000) <br />New tacrine-huperzine A hybrids (huprines): highly potent tight-binding acetylcholinesterase inhibitors of interest for the treatment of Alzheimer's disease<br /><i>Journal of Medicinal Chemistry</i> <b>43</b>: 4657<br /><br />Barril X, Orozco M, Luque FJ (1999) <br />Predicting relative binding free energies of tacrine-huperzine A hybrids as inhibitors of acetylcholinesterase<br /><i>Journal of Medicinal Chemistry</i> <b>42</b>: 5110<br /><br />Camps P, El Achab R, Gorbig DM, Morral J, Munoz-Torrero D, Badia A, Eladi Banos J, Vivas NM, Barril X, Orozco M, Luque FJ (1999) <br />Synthesis, in vitro pharmacology, and molecular modeling of very potent tacrine-huperzine A hybrids as acetylcholinesterase inhibitors of potential interest for the treatment of Alzheimer's disease<br /><i>Journal of Medicinal Chemistry</i> <b>42</b>: 3227<br /><br />