| Title : Challenges of docking in large, flexible and promiscuous binding sites - Kotev_2016_Bioorg.Med.Chem_24_4961 |
| Author(s) : Kotev M , Soliva R , Orozco M |
| Ref : Bioorganic & Medicinal Chemistry , 24 :4961 , 2016 |
| Abstract : |
| PubMedSearch : Kotev_2016_Bioorg.Med.Chem_24_4961 |
| PubMedID: 27545443 |
| Title : Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer's disease - Munoz-Ruiz_2005_J.Med.Chem_48_7223 |
| Author(s) : 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 |
| Ref : Journal of Medicinal Chemistry , 48 :7223 , 2005 |
| Abstract : |
| PubMedSearch : Munoz-Ruiz_2005_J.Med.Chem_48_7223 |
| PubMedID: 16279781 |
| Title : Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE - Alonso_2005_Bioorg.Med.Chem_13_6588 |
| Author(s) : 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 |
| Ref : Bioorganic & Medicinal Chemistry , 13 :6588 , 2005 |
| Abstract : |
| PubMedSearch : Alonso_2005_Bioorg.Med.Chem_13_6588 |
| PubMedID: 16230018 |
| Title : Synthesis, biological evaluation and molecular modelling of diversely functionalized heterocyclic derivatives as inhibitors of acetylcholinesterase\/butyrylcholinesterase and modulators of Ca2+ channels and nicotinic receptors - Marco_2004_Bioorg.Med.Chem_12_2199 |
| Author(s) : Marco JL , de los Rios C , Garcia AG , Villarroya M , Carreiras MC , Martins C , Eleuterio A , Morreale A , Orozco M , Luque FJ |
| Ref : Bioorganic & Medicinal Chemistry , 12 :2199 , 2004 |
| Abstract : |
| PubMedSearch : Marco_2004_Bioorg.Med.Chem_12_2199 |
| PubMedID: 15080920 |
| Title : Molecular modelling approaches to the design of acetylcholinesterase inhibitors: new challenges for the treatment of Alzheimer's disease - Munoz-Muriedas_2004_Curr.Pharm.Des_10_3131 |
| Author(s) : Munoz-Muriedas J , Lopez JM , Orozco M , Luque FJ |
| Ref : Curr Pharm Des , 10 :3131 , 2004 |
| Abstract : |
| PubMedSearch : Munoz-Muriedas_2004_Curr.Pharm.Des_10_3131 |
| PubMedID: 15544503 |
| Title : Rational design of reversible acetylcholinesterase inhibitors - Barril_2002_Mini.Rev.Med.Chem_2_27 |
| Author(s) : Barril X , Kalko SG , Orozco M , Luque FJ |
| Ref : Mini Rev Med Chem , 2 :27 , 2002 |
| Abstract : |
| PubMedSearch : Barril_2002_Mini.Rev.Med.Chem_2_27 |
| PubMedID: 12369955 |
| Title : 3D structure of Torpedo californica acetylcholinesterase complexed with huprine X at 2.1 A resolution: kinetic and molecular dynamic correlates - Dvir_2002_Biochemistry_41_2970 |
| Author(s) : Dvir H , Wong DM , Harel M , Barril X , Orozco M , Luque FJ , Munoz-Torrero D , Camps P , Rosenberry TL , Silman I , Sussman JL |
| Ref : Biochemistry , 41 :2970 , 2002 |
| Abstract : |
| PubMedSearch : Dvir_2002_Biochemistry_41_2970 |
| PubMedID: 11863435 |
| Gene_locus related to this paper: torca-ACHE |
| Title : Towards improved acetylcholinesterase inhibitors: an structural and computational approach - Barril_2001_Mini.Rev.Med.Chem_1_255 |
| Author(s) : Barril X , Orozco M |
| Ref : Mini Rev Med Chem , 1 :255 , 2001 |
| Abstract : |
| PubMedSearch : Barril_2001_Mini.Rev.Med.Chem_1_255 |
| PubMedID: 12369972 |
| Title : Synthesis, in Vitro Pharmacology, and Molecular Modeling of syn-Huprines as Acetylcholinesterase Inhibitors - Camps_2001_J.Med.Chem_44_4733 |
| Author(s) : Camps P , Gomez E , Munoz-Torrero D , Badia A , Vivas NM , Barril X , Orozco M , Luque FJ |
| Ref : Journal of Medicinal Chemistry , 44 :4733 , 2001 |
| Abstract : |
| PubMedSearch : Camps_2001_J.Med.Chem_44_4733 |
| PubMedID: 11741490 |
| Title : New tacrine-huperzine A hybrids (huprines): highly potent tight-binding acetylcholinesterase inhibitors of interest for the treatment of Alzheimer's disease - Camps_2000_J.Med.Chem_43_4657 |
| Author(s) : Camps P , El Achab R , Morral J , Munoz-Torrero D , Badia A , Banos JE , Vivas NM , Barril X , Orozco M , Luque FJ |
| Ref : Journal of Medicinal Chemistry , 43 :4657 , 2000 |
| Abstract : |
| PubMedSearch : Camps_2000_J.Med.Chem_43_4657 |
| PubMedID: 11101357 |
| Title : Predicting relative binding free energies of tacrine-huperzine A hybrids as inhibitors of acetylcholinesterase - Barril_1999_J.Med.Chem_42_5110 |
| Author(s) : Barril X , Orozco M , Luque FJ |
| Ref : Journal of Medicinal Chemistry , 42 :5110 , 1999 |
| Abstract : |
| PubMedSearch : Barril_1999_J.Med.Chem_42_5110 |
| PubMedID: 10602696 |
| Title : 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 - Camps_1999_J.Med.Chem_42_3227 |
| Author(s) : 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 |
| Ref : Journal of Medicinal Chemistry , 42 :3227 , 1999 |
| Abstract : |
| PubMedSearch : Camps_1999_J.Med.Chem_42_3227 |
| PubMedID: 10464010 |