Chiral discrimination of ibuprofen isomers in β-cyclodextrin inclusion complexes: experimental (NMR) and theoretical (MD, MM/GBSA) studies

Tetrahedron

Volumn 62, Issue 17, 2006, Pages 4162-4172

  Núñez Agüero, Carlos Javier ^a   Escobar Llanos, Carolina Marta ^b   Díaz, David ^b   Jaime, Carlos ^c   Garduño Juárez, Ramón ^d  

^a CENTRO DE INVESTIGACIONES QUÍMICAS   (Mexico)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^c UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^d INSTITUTO DE CIENCIAS FÍSICAS   (Mexico)

Author keywords

Cyclodextrin; Chiral discrimination; Free energy analysis; Inclusion complexes; Molecular modeling; Molecular recognition

Indexed keywords

BETA CYCLODEXTRIN; IBUPROFEN; WATER;

ARTICLE; ATOM; CALCULATION; CHIRALITY; COMPLEX FORMATION; CONFORMATION; ENERGY; EXPERIMENTATION; GEOMETRY; HYDROGEN BOND; ISOMER; METHODOLOGY; MOLECULAR MECHANICS; MOLECULAR WEIGHT; MOLECULE; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; SIMULATION;

EID: 33646001386     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tet.2006.02.010     Document Type: Article

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