Characteristics of the ligand-binding site interaction for a series of arecoline-derived muscarinic agonists: A quantum chemical study

Computers and Chemistry

Volumn 24, Issue 3-4, 2000, Pages 411-420

  Broclawik, Ewa ^a   Borowski, Tomasz ^b  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

^b JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

Agonists; DFT; Molecular electrostatic potential; Muscarinic receptors; Pharmacophores

Indexed keywords

4,5,6,7 TETRAHYDROISOXAZOLO(4,5 C)PYRIDIN 3 OL; 4,5,6,7-TETRAHYDROISOXAZOLO(4,5-C)PYRIDIN-3-OL; ARECOLINE; BICYCLO COMPOUND; DRUG DERIVATIVE; ISOXAZOLE DERIVATIVE; LIGAND; MUSCARINIC AGENT; MUSCARINIC RECEPTOR;

ARTICLE; BINDING SITE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; DRUG EFFECT; ELECTROCHEMISTRY; ELECTRON; ELECTRON SPIN RESONANCE; QUANTUM THEORY;

ARECOLINE; BICYCLO COMPOUNDS; BINDING SITES; COMPUTER SIMULATION; ELECTROCHEMISTRY; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONS; ISOXAZOLES; LIGANDS; MOLECULAR CONFORMATION; MUSCARINIC AGONISTS; QUANTUM THEORY; RECEPTORS, MUSCARINIC;

EID: 0034181727     PISSN: 00978485     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0097-8485(99)00076-5     Document Type: Article

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