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

Abdulaziz A.M. Abahussain; S. Z.J. Zaidi; M. H. Nazir; M. Raza; M. H. Nazir; S. Hassan

doi:10.14447/jnmes.v25i4.a02

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

Abdulaziz A.M. Abahussain, S. Z.J. Zaidi^*, M. H. Nazir, M. Raza, M. H. Nazir, S. Hassan

^*Corresponding author for this work

Faculty of Computing, Engineering and Science

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	234-239
Number of pages	6
Journal	Journal of New Materials for Electrochemical Systems
Volume	25
Issue number	4
DOIs	https://doi.org/10.14447/jnmes.v25i4.a02
Publication status	Published - 31 Dec 2022

Keywords

density functional theory
drug delivery
gemcitabine
graphene

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.14447/jnmes.v25i4.a02Licence: Unspecified

Cite this

@article{3dc6f8e395104932abef50b5e704db07,

title = "A DFT study of Graphene as a drug carrier for gemcitabine anticancer drug",

abstract = "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.",

keywords = "density functional theory, drug delivery, gemcitabine, graphene",

author = "Abahussain, {Abdulaziz A.M.} and Zaidi, {S. Z.J.} and Nazir, {M. H.} and M. Raza and Nazir, {M. H.} and S. Hassan",

year = "2022",

month = dec,

day = "31",

doi = "10.14447/jnmes.v25i4.a02",

language = "English",

volume = "25",

pages = "234--239",

journal = "Journal of New Materials for Electrochemical Systems",

issn = "1480-2422",

publisher = "International Information and Engineering Technology Association",

number = "4",

}

TY - JOUR

T1 - A DFT study of Graphene as a drug carrier for gemcitabine anticancer drug

AU - Abahussain, Abdulaziz A.M.

AU - Zaidi, S. Z.J.

AU - Nazir, M. H.

AU - Raza, M.

AU - Nazir, M. H.

AU - Hassan, S.

PY - 2022/12/31

Y1 - 2022/12/31

N2 - 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.

AB - 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.

KW - density functional theory

KW - drug delivery

KW - gemcitabine

KW - graphene

U2 - 10.14447/jnmes.v25i4.a02

DO - 10.14447/jnmes.v25i4.a02

M3 - Article

AN - SCOPUS:85146320921

VL - 25

SP - 234

EP - 239

JO - Journal of New Materials for Electrochemical Systems

JF - Journal of New Materials for Electrochemical Systems

SN - 1480-2422

IS - 4

ER -

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

Abstract

Keywords

UN SDGs

Access to Document

Fingerprint

Cite this