Novel insights on the structural determinants of clozapine and olanzapine multi-target binding profiles

European Journal of Medicinal Chemistry

Volumn 77, Issue , 2014, Pages 91-95

  Selent, Jana ^a   Marti Solano, Maria ^a   Rodríguez, Javier ^b   Atanes, Patricio ^b   Brea, José ^b   Castro, Marian ^b   Sanz, Ferran ^a   Loza, M Isabel ^b   Pastor, Manuel ^a  

^a UNIVERSITAT POMPEU FABRA   (Spain)

^b Universidade de Santiago de Compostela and Instituto de Investigación Sanitaria de Santiago de Compostela   (Spain)

Author keywords

Antipsychotic drugs; Binding profile; GPCR; Molecular modelling; Multi target; Site directed mutagenesis

Indexed keywords

CLOZAPINE; G PROTEIN COUPLED RECEPTOR; HYDROGEN; LIGAND; MEMBRANE PROTEIN; OLANZAPINE; BENZODIAZEPINE DERIVATIVE; DOPAMINE 2 RECEPTOR; DOPAMINE D2L RECEPTOR; NEUROLEPTIC AGENT; PROTEIN BINDING; SEROTONIN 1A RECEPTOR;

ANIMAL CELL; ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; DRUG EFFICACY; DRUG PROTEIN BINDING; DRUG SELECTIVITY; HYDROGEN BOND; MOLECULAR MODEL; NONHUMAN; PROTEIN EXPRESSION; SITE DIRECTED MUTAGENESIS; STRUCTURE ACTIVITY RELATION; BINDING COMPETITION; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; DOSE RESPONSE; GENETICS; HUMAN; METABOLISM;

ANTIPSYCHOTIC AGENTS; BENZODIAZEPINES; BINDING, COMPETITIVE; CLOZAPINE; DOSE-RESPONSE RELATIONSHIP, DRUG; HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MUTAGENESIS, SITE-DIRECTED; PROTEIN BINDING; RECEPTOR, SEROTONIN, 5-HT1A; RECEPTORS, DOPAMINE D2; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84896115809     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2014.02.058     Document Type: Article

References (20)

1. B. Roth, and D. Sheffler Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia Nature Reviews Drug Discovery 3 2004 3 9
2. D.H. Kim, M.J. Maneen, and S.M. Stahl Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia Neurotherapeutics: The Journal of the American Society for Experimental NeuroTherapeutics 6 2009 78 85
3. J. Selent, A. Bauer-Mehren, L. López, M.I. Loza, F. Sanz, and M. Pastor A novel multilevel statistical method for the study of the relationships between multireceptorial binding affinity profiles and in vivo endpoints Molecular Pharmacology 77 2010 149 158
4. E.H.F. Wong, F.I. Tarazi, and M. Shahid The effectiveness of multi-target agents in schizophrenia and mood disorders: relevance of receptor signature to clinical action Pharmacology & Therapeutics 126 2010 173 185
5. J.S. Souza, M. Kayo, I. Tassell, C.B. Martins, and H. Elkis Efficacy of olanzapine in comparison with clozapine for treatment-resistant schizophrenia: evidence from a systematic review and meta-analyses CNS Spectrums 18 2013 82 89
6. P.M.M. Nooijen, F. Carvalho, and R.J. Flanagan Haematological toxicity of clozapine and some other drugs used in psychiatry Human Psychopharmacology 26 2011 112 119
7. A. Attard, and D.M. Taylor Comparative effectiveness of atypical antipsychotics in schizophrenia: what have real-world trials taught us? CNS Drugs 26 2012 491 508
8. J. Selent, L. López, F. Sanz, and M. Pastor Multi-receptor binding profile of clozapine and olanzapine: a structural study based on the new beta2 adrenergic receptor template ChemMedChem 3 2008 1194 1198
9. J. Ballesteros, and H. Weinstein Integrated methods for the construction of three dimensional models and computational probing of structure function relations in Gprotein coupled receptor Methods in Neurosciences 25 1995 366 428
10. E.Y.T. Chien, W. Liu, Q. Zhao, V. Katritch, G.W. Han, and M. a Hanson et al. Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist Science 330 2010 1091 1095
11. C. Wang, Y. Jiang, J. Ma, H. Wu, D. Wacker, and V. Katritch et al. Structural basis for molecular recognition at serotonin receptors Science 2013 1 9
12. F. Milletti, and A. Vulpetti Tautomer preference in PDB complexes and its impact on structure-based drug discovery Journal of Chemical Information and Modeling 50 2010 1062 1074
13. V. Cherezov, D.M. Rosenbaum, M. a Hanson, S.G.F. Rasmussen, F.S. Thian, and T.S. Kobilka et al. High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor Science 318 2007 1258 1265 (Pubitemid 350172884)
14. B.R. Cullen Use of eukaryotic expression technology in the functional analysis of cloned genes Methods in Enzymology 152 1987 684 704
15. Molecular Operating Environment (MOE) software, http://www.chemcomp.com/ software.htm.
16. A. Sali, and T.L. Blundell Comparative protein modelling by satisfaction of spatial restraints Journal of Molecular Biology 234 1993 779 815 (Pubitemid 24007801)
17. D. Case AMBER 12 2012 University of California San Francisco
18. P.R. Gerber, and K. Müller MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry Journal of Computer-Aided Molecular Design 9 1995 251 268
19. R.A. Laskowski, M.W. MacArthur, D.S. Moss, and J.M. Thornton PROCHECK: a program to check the stereochemical quality of protein structures Journal of Applied Crystallography 26 1993 283 291
20. M.L. Verdonk, J.C. Cole, M.J. Hartshorn, C.W. Murray, and R.D. Taylor Improved protein-ligand docking using GOLD Proteins 52 2003 609 623 (Pubitemid 37034158)