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

页码：234 / 239

页数：6

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