A density functional theory investigation on amantadine drug interaction with pristine and B, Al, Si, Ga, Ge doped C60 fullerenes

PARLAK C., ALVER Ö.

CHEMICAL PHYSICS LETTERS, vol.678, pp.85-90, 2017 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 678
  • Publication Date: 2017
  • Doi Number: 10.1016/j.cplett.2017.04.025
  • Journal Name: CHEMICAL PHYSICS LETTERS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.85-90
  • Keywords: Drug delivery, Surface interaction, Sensor application, Fullerene, DFT, INTERMOLECULAR INTERACTIONS, ADSORPTION, DFT, DERIVATIVES, DELIVERY, C-60, STABILITY, NANOTUBES, CO
  • Anadolu University Affiliated: Yes

Abstract

Amantadine is a well-known drug for its treatment effect on Parkinson's disease and influenza infection or hepatitis. Heteroatom doped fullerenes have been extensively examined for their possible usage in sensor technology and medical applications as drug delivery vehicles. In this research, pristine and B, Al, Si, Ga, Ge doped C60 fullerenes and their interaction with amantadine drug molecule were investigated based on the density functional theory calculations. Findings suggest that doped C60 fullerenes might be used to detect the presence of amantadine and they might be used as drug delivery vehicles because of their moderately high adsorption energies with amantadine. (C) 2017 Elsevier B.V. All rights reserved.