Your browser doesn't support javascript.
loading
Computational studies of mucin 2 and its interactions with thiolated chitosans: a new insight for mucus adhesion and drug retention.
Cavalcanti da Silveira, Cleverton Oliveira; Gonçalves, Arlan da Silva; Costa Franca, Tanos Celmar; Silva Filho, Eloi Alves.
Afiliação
  • Cavalcanti da Silveira CO; Department of Chemistry, Federal University of Espírito Santo, Vitória, ES, Brazil.
  • Gonçalves ADS; Federal Institute of Education Science and Technology of Espirito Santo, Unit Vila Velha, Vila Velha, Espírito Santo, Brazil.
  • Costa Franca TC; Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Rio de Janeiro, RJ, Brazil.
  • Silva Filho EA; Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralove, Czech Republic.
J Biomol Struct Dyn ; 38(5): 1479-1487, 2020 Mar.
Article em En | MEDLINE | ID: mdl-31014188
Chitosans have attracted the interest of the medicinal chemists as mucous adhesive excipients capable of increasing the residence period of drugs inside mucous membranes. Their interactions with the oligomeric mucus gel-forming glycoprotein mucin 2 throughout the intestine determine the level of mucus adhesion, which can be potentiated by the insertion of thiolated substituents on its structure. In this work, we studied the interactions between the mucin 2 and thiolated chitosans, ranking them based on the free energy of receptor-ligand interaction. Results show that when non-bonded interactions were considered, the chitosan-N-acetyl cysteine (AC-Chi) equaled itself in terms of free energy of bonding to the hexamer chitosan-thiobutylamidine (TBA-Chi). The unmodified chitosan (U-Chi) displayed the second greatest ΔG(binding), showing that the level of mucoadhesion of thiolated chitosans has assumed a diverse order, when considering only the non-binding interactions.Communicated by Ramaswamy H. Sarma.
Assuntos
Palavras-chave
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Preparações Farmacêuticas / Quitosana Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Brasil País de publicação: Reino Unido
Texto completo
Adicionar na Minha BVS
Imprimir
XML
PubMed Links
Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Preparações Farmacêuticas / Quitosana Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Brasil País de publicação: Reino Unido