Molecular recognition and binding mechanism of N-alkyl- benzyltetrahydroisoquinolines to the D1 dopamine receptor. A computational approach

Journal of Molecular Structure: THEOCHEM

Volumn 666-667, Issue , 2003, Pages 455-467

  Suvire, F D ^a   Cabedo, N ^b   Chagraoui, A ^c   Zamora, M A ^a   Cortes, D ^b   Enriz, R D ^a  

^a UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

^b UNIVERSITY OF VALENCIA   (Spain)

^c UNIVERSITÉ DE ROUEN   (France)

Author keywords

Ab initio and density functional theory calculations; Binding mechanism of N alkyl benzyltethrahydroisoquinolines; D1 Dopamine receptor; Interactions including solvent effect

Indexed keywords

ASPARTIC ACID; DOPAMINE 1 RECEPTOR; DOPAMINE 1 RECEPTOR BLOCKING AGENT; SERINE; TETRAHYDROISOQUINOLINE DERIVATIVE;

AB INITIO CALCULATION; ANALYTIC METHOD; BINDING AFFINITY; CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; DRUG RECEPTOR BINDING; DRUG STRUCTURE; ELECTRICITY; ELECTRONICS; GAS; MOLECULAR RECOGNITION; PROCESS MODEL; SIMULATION; SOLVATION; STRUCTURE ANALYSIS;

EID: 1642492904     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.08.070     Document Type: Conference Paper

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