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

被引：75

作者：

Parlak, Cemal ^{[1
]}

Alver, Ozgur ^{[2
]}

机构：

[1] Ege Univ, Sci Fac, Dept Phys, TR-35100 Izmir, Turkey

[2] Anadolu Univ, Sci Fac, Dept Phys, TR-26470 Eskisehir, Turkey

来源：

CHEMICAL PHYSICS LETTERS | 2017年 / 678卷

关键词：

Drug delivery; Surface interaction; Sensor application; Fullerene; DFT; ADSORPTION; DFT; DERIVATIVES; DELIVERY; C-60; STABILITY; NANOTUBES; CO;

D O I：

10.1016/j.cplett.2017.04.025

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

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页码：85 / 90

页数：6

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