Docking and quantum mechanic studies on cholinesterases and their inhibitors

European Journal of Medicinal Chemistry

Volumn 42, Issue 1, 2007, Pages 10-19

  Correa Basurto, José ^a   Flores Sandoval, Cesar ^b   Marín Cruz, Jesús ^b   Rojo Domínguez, Arturo ^c   Espinoza Fonseca, L Michel ^a,d   Trujillo Ferrara, José G ^a  

^a INSTITUTO POLITÉCNICO NACIONAL   (Mexico)

^b INSTITUTO MEXICANO DEL PETRÓLEO   (Mexico)

^c DEPARTAMENTO DE PROCESOS Y TECNOLOGÍA   (Mexico)

^d UNIVERSITY OF MINNESOTA   (United States)

Author keywords

Acetylcholinesterase; Alzheimer's disease; Butyrylcholinesterase; Docking; HOMO LUMO densities; N aryl derivatives

Indexed keywords

ACETYLCHOLINESTERASE; CHOLINESTERASE; CHOLINESTERASE INHIBITOR; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE; SERINE; TRYPTOPHAN;

ALZHEIMER DISEASE; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; DRUG STRUCTURE; DRUG SYNTHESIS; ENERGY; ENZYME ACTIVE SITE; ENZYME ACTIVITY; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DOCKING; PARTITION COEFFICIENT; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM MECHANICS; REACTION ANALYSIS; STRUCTURE ANALYSIS;

ACETYLCHOLINESTERASE; AMIDES; BINDING SITES; BUTYRYLCHOLINESTERASE; CHOLINESTERASE INHIBITORS; IMIDES; KINETICS; LIGANDS; MODELS, MOLECULAR; QUANTUM THEORY;

EID: 33846827353     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2006.08.015     Document Type: Article

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