A DFT study of Graphene as a drug carrier for gemcitabine anticancer drug

被引：1
|
作者：
Abahussain, Abdulaziz A. M. [1 ]
Zaidi, S. Z. J. [2 ]
Nazir, M. H. [2 ,3 ]
Raza, M. [2 ]
Hassan, S. [4 ]
机构：
[1] King Saud Univ, Dept Chem Engn, Riyadh, Saudi Arabia
[2] Univ Punjab, Inst Chem Engn & Technol, Lab Energy Water & Healthcare Technol, Lahore 54000, Punjab, Pakistan
[3] Univ South Wales, Fac Comp Engn & Sci, Caerleon, Wales
[4] Univ Hong Kong, Dept Mech Engn, Hong Kong, Peoples R China
来源：
JOURNAL OF NEW MATERIALS FOR ELECTROCHEMICAL SYSTEMS | 2022年 / 25卷 / 04期
关键词：
gemcitabine; graphene; density functional theory; drug delivery;
D O I：
10.14447/jnmes.v25i4.a02
中图分类号：
O646 [电化学、电解、磁化学];
学科分类号：
081704 ;
摘要：
Research is being carried out worldwide for possible treatment of cancer. Graphene has been studied as a drug carrier for various cancer-related drugs [1-2]. In the present work, we apply theoretical models to study the electrons interactions, thermodynamic properties, and solvent interaction of the drug-carrier configuration. The stability of graphene means that it can be a nanocarrier in the biological system. The simulations result shows that graphene provides a stable base, where gemcitabine is a highly dissolvable and reactive drug. The adsorption of gemcitabine on the graphene was physical. The drug carrier configuration formed a highly impactful drug-carrier design.
引用
收藏
页码：234 / 239
页数：6
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