Theoretical study of the adsorption process of antimalarial drugs into acrylamide-base hydrogel model using dft methods: the first approach to the rational design of a controlled drug delivery system

The interaction between three widely used antimalarial drugs chloroquine, primaquine and amodiaquine with acrylamide dimer and trimer as a hydrogel model, were studied by means of density functional theory calculation in both vacuum and water environments, using the functional wb97xd with 6-31++G(d,...

Full description

Autores:

Márquez, Edgar
Mora, José R.
Puello, Esneyder
Rangel, Norma
De Moya, Aldemar
Trilleras, Jorge
Cortes, Eliceo

Tipo de recurso:

Article of journal

Fecha de publicación:

2019

Institución:

Corporación Universidad de la Costa

Repositorio:

REDICUC - Repositorio CUC

Idioma:

eng

OAI Identifier:

oai:repositorio.cuc.edu.co:11323/5301

Acceso en línea:

https://hdl.handle.net/11323/5301
https://repositorio.cuc.edu.co/

Palabra clave:

Plasmodium falciparum
Hydrogen bond
Hydrogel
Computational modeling
Binding energy
Drug-delivery system

Rights

openAccess

License

http://creativecommons.org/publicdomain/zero/1.0/