Use este identificador para citar o ir al link de este elemento:
http://hdl.handle.net/1843/76333| Tipo: | Artigo de Periódico |
| Título: | Molecular inclusion process of urease inhibitors into cyclodextrins: a theoretical study |
| Autor(es): | Sayron Reis Ângelo de Fátima Luciana Guimarães Clébio Soares Nascimento Júnior |
| Resumen: | This paper reports a theoretical investigation on formation of host/guest inclusion complexes of two urease inhibitors into cyclodextrins. The main goals were to modeling and propose new supramolecular delivery systems of urease inhibitors. Structures and stabilization energies were calculated, in 1:1 and 2:1 M ratios, by DFT calculations. It was found that the hydrogen bonds formed between two CDs molecules play an important role in the complexes stabilization. With this work we are able to propose by a molecular modeling study new host/guest inclusion compound, being the BGA-1 and the β-CD the most suitable guest and host, respectively. |
| Asunto: | Química Ciclodextrinas Urease - Inibidores Funcionais de densidade |
| Idioma: | eng |
| País: | Brasil |
| Editor: | Universidade Federal de Minas Gerais |
| Sigla da Institución: | UFMG |
| Departamento: | ICX - DEPARTAMENTO DE QUÍMICA |
| Tipo de acceso: | Acesso Restrito |
| Identificador DOI: | https://doi.org/10.1016/j.cplett.2017.03.010 |
| URI: | http://hdl.handle.net/1843/76333 |
| Fecha del documento: | 2017 |
| metadata.dc.url.externa: | https://www.sciencedirect.com/science/article/pii/S0009261417302221 |
| metadata.dc.relation.ispartof: | Chemical Physics Letters |
| Aparece en las colecciones: | Artigo de Periódico |
archivos asociados a este elemento:
no existem archivos asociados a este elemento.
Los elementos en el repositorio están protegidos por copyright, con todos los derechos reservados, salvo cuando es indicado lo contrario.