Molecular field analysis of clozapine analogs in the development of a pharmacophore model of antipsychotic drug action

Journal of Molecular Graphics and Modelling

Volumn 19, Issue 5, 2001, Pages 417-426

  Tehan, Benjamin G ^a   Lloyd, Edward J ^a   Wong, Margaret G ^b  

^a MONASH UNIVERSITY   (Australia)

^b SWINBURNE UNIVERSITY OF TECHNOLOGY   (Australia)

Author keywords

Antipsychotic; Clozapine; CoMFA; Dopamine; HINT; Pharmacophore; QSAR; Schizophrenia

Indexed keywords

ANALOG STORAGE; DESIGN; DRUG PRODUCTS; MATHEMATICAL MODELS;

LIGANDS;

MOLECULAR GRAPHICS;

CLOZAPINE DERIVATIVE; NEUROLEPTIC AGENT;

BINDING AFFINITY; COMPUTER PROGRAM; CONFERENCE PAPER; DRUG ACTIVITY; DRUG CONFORMATION; DRUG DESIGN; DRUG RECEPTOR BINDING; PHARMACOPHORE; PRIORITY JOURNAL;

ANTIPSYCHOTIC AGENTS; CLOZAPINE; COMPUTER SIMULATION; DIBENZOTHIEPINS; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PIPERAZINES; RECEPTORS, DOPAMINE D2;

EID: 0034957609     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(00)00101-7     Document Type: Conference Paper

References (42)

1. Drugs and the treatment of psychiatric disorders
2. Possible mechanisms by which repeated clozapine administration differentially affects the activity of two subpopulations of midbrain dopamine neurons
3. i values
4. Dopaminergic approaches to antipsychotic agents
5. Classification schemes for antipsychotic drugs
6. Pharmacological action of the atypical antipsychotic drug clozapine: A review
7. Interaction of antipsychotic drugs with neurotransmitter receptor sites in vitro and in vivo in relation to pharmacological and clinical effects: Role of 5HT2 receptors
8. Treatment of schizophrenia
9. Binding of 5H-Dibenzo[b,e][1,4]diazepine and Chiral 5H-Dibenzo[a,d]cycloheptene analogues of clozapine to dopamine and serotonin receptors
10. Binding of 5H-Dibenzo[a,d]cycloheptene and 5H-Dibenz[b,f]oxepine analogues of clozapine to dopamine and serotonin receptors
11. Octoclothepin enantiomers. A reinvestigation of their biochemical and pharmacological activity in relation to a new receptor-interaction model for dopamine D-2 receptor antagonists
12. Neuroleptic receptors: Stereoselectivity for neuroleptic enantiomers
13. (+)-(S)-2-Chloro-10,11-dihydro-11-(4-methylpiperazin-1-yl)-dibenzo (b,f) thiepin
14. Validation of the general purpose Tripos 5.2 force field
15. Iterative partial equalization of orbital electronegativity - Rapid access to atomic charges
16. Topology of dopamine receptors
17. Computer aided development of three-dimensional pharmacophore models
18. Conformational analysis and structural comparisons of (1R,3S)-(+)- and (1S,3R)-(-)-tefludazine, (S)-(+)- and (R)-(-)-octoclothepin, and (+)-dexclamol in relation to dopamine receptor antagonism and amine-uptake inhibition
19. HINT: A new method of empirical hydrophobic field calculation for CoMFA
20. Comparative molecular field analysis (CoMFA) 1. Effect of shape on binding of steroids to carrier proteins
21. Physico-chemical and biological factors that influence a drug's cellular permeability by passive diffusion
22. Recommendations for CoMFA studies and 3D QSAR publications
23. Machine computation of the common rings
24. Conformational barrier calculation of dibenzo[b,e]azepine derivatives by semi-empirical method AM1
25. 1-Cyclohexenyl-1-cyclobutenedione
26. 1,2,3,4-Tetraphenyl-cis,cis-butadiene
27. Epurpurin C dimethyl ether
28. 2,3-Dibenzoyl-5-nitrocyclopentadiene
29. Dienestrol cycladiene oestrogenic activity
30. A common structural model for central nervous system drugs and their receptors
31. 3D molecular structures: Generation and use in 3D searching
32. Antipsychotic agents
33. Dopamine D2 and D4 receptor ligands: Relation to antipsychotic action
34. Application de l'analyse CoMFA (Comparative Molecular Field Analysis) à une série de dérivés tricycliques apparentés à la clozapine
35. CoMFA-based prediction of agonist affinities at recombinant D1 vs D2 dopamine receptors