Pharmacophore identification and bioactivity prediction for group I metabotropic glutamate receptor agonists by the electron-conformational QSAR method

Quantitative Structure-Activity Relationships

Volumn 20, Issue 4, 2001, Pages 327-334

  Rosines, Eran ^a   Bersuker, Isaac B ^a   Boggs, James E ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

Drug design; Glutamate receptor agonists; Pharmacophore identification; QSAR

Indexed keywords

ATOMS; COMPUTATIONAL CHEMISTRY; ELECTRONIC STRUCTURE; FORECASTING; MOLECULAR GRAPHICS;

BIOACTIVITY PREDICTION; CONFORMATIONAL ANALYSIS; DRUG DESIGN; ELECTRONIC STRUCTURE CALCULATIONS; GLUTAMATE RECEPTOR; GLUTAMATE RECEPTOR AGONIST; METABOTROPIC GLUTAMATE RECEPTORS; PHARMACOPHORE IDENTIFICATION; PHARMACOPHORES; QSAR;

SHIELDING;

METABOTROPIC RECEPTOR AGONIST; NITROGEN; OXYGEN;

ACCURACY; ANALYTIC METHOD; ARTICLE; CALCULATION; DRUG ACTIVITY; DRUG DESIGN; DRUG STRUCTURE; ELECTRON; GEOMETRY; MOLECULAR INTERACTION; PHARMACOPHORE; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; STATISTICAL ANALYSIS; STRUCTURE ANALYSIS; VALIDATION PROCESS;

EID: 0035652596     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3838(200111)20:4<327::AID-QSAR327>3.0.CO;2-Q     Document Type: Article

References (20)

1. Pharmacology and functions of metabotropic glutamate receptors
2. Excitatory amino acid receptor ligands: Resolution, absolute stereochemistry, and enantiopharmacology of 2-Amino-3-(4-butyl-3-hydroxysoxazol-5-yl)propionic acid
3. Ligands for glutamate receptors: Design and therapeutic prospects
4. Excitatory amino acids
5. Pharmacophore models of group I and group II metabotropic glutamate receptor agonists. Analysis of conformational, steric, and topological parameters affecting potency and selectivity
6. Agonist selectivity of mGluR1 I and mGluR2 metabotropic receptors: A different environment but similar recognition of an extended glutamate conformation
7. Improved electron-conformational method of pharmacophore identification and bioactivity prediction. Application to angiotensin converting enzyme inhibitors
8. The electron-topological approach to the QSAR problem
9. The electron-conformational method of identification of pharmacophore and anti-pharmacophore shielding
10. An electron-conformational method of identification of pharmacophore and anti-pharmacophore shielding: Application to rice blast activity
11. A novel electron-conformational approach to molecular modeling for QSAR by identification of pharmacophore and anti-pharmacophore shielding
12. Sulphur-containing amino acids are agonists for group I metabotropic receptors expressed in clonal RGT cell lines
13. Synthesis and pharmacology of N-alkylated derivatives of the excitotoxin ibotenic acid
14. Structure-activity relationships of new agonists and antagonists of different metabotropic glutamate receptor subtypes
15. Pharmacology of (S)-homoquisqualic acid and (S)-2-amino-5-phosphonopentanoic acid [(S)-AP5] at cloned metabotropic glutamate receptors
16. Cross-validatory estimation of number of components in factor and principal components models