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, cilt.678, ss.85-90, 2017 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 678
  • Basım Tarihi: 2017
  • Doi Numarası: 10.1016/j.cplett.2017.04.025
  • Dergi Adı: CHEMICAL PHYSICS LETTERS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.85-90
  • Anahtar Kelimeler: Drug delivery, Surface interaction, Sensor application, Fullerene, DFT, INTERMOLECULAR INTERACTIONS, ADSORPTION, DFT, DERIVATIVES, DELIVERY, C-60, STABILITY, NANOTUBES, CO
  • Anadolu Üniversitesi Adresli: Evet

Özet

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.