Artículo
Current trends in molecular modeling methods applied to the study of cyclodextrin complexes
Fecha de publicación:
02/2018
Editorial:
Springer
Revista:
Journal Of Inclusion Phenomena And Macrocyclic Chemistry
ISSN:
0923-0750
e-ISSN:
1573-1111
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
In this review the authors present an overview of different molecular modeling campaigns dealing with the study and characterization of cyclodextrins (CDs) inclusion complexes with applicability to diverse biomedical and technological domains. The aim of this review is to present in a concise manner the new tendencies towards CDs molecular modeling studies in the context of a scientific computing era characterized by detailed and exhaustively validated molecular modeling protocols combined with and enormous and continuously growing computing power. Therefore, the present review covers research efforts reported in the last 5 years, including the simulation of native and modified CDs in a new and more detailed manner than what was possible in the past as well as their inclusion complexes with bioactive molecules studied by detailed protocols and exhaustive free-energy of binding calculations. Also, particular emphasis is devoted to the molecular modeling simulation of CDs included as part of drug delivery matrixes and intelligent nanodevices such as CD-based molecular motors.
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Articulos(UNITEFA)
Articulos de UNIDAD DE INVESTIGACION Y DESARROLLO EN TECNOLOGIA FARMACEUTICA
Articulos de UNIDAD DE INVESTIGACION Y DESARROLLO EN TECNOLOGIA FARMACEUTICA
Citación
Quevedo, Mario Alfredo; Zoppi, Ariana; Current trends in molecular modeling methods applied to the study of cyclodextrin complexes; Springer; Journal Of Inclusion Phenomena And Macrocyclic Chemistry; 90; 1-2; 2-2018; 1-14
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