Translocation mechanism of anticancer drugs through membrane with the assistance of graphene quantum dot.

Autor: Weng L; Department of Stomatology, The First Affiliated Hospital, Zhejiang University School of Medicine, Hangzhou 310000, China., Ren H; School of Pharmacy, Hangzhou Normal University, Hangzhou, Zhejiang 311121, China., Xu R; School of Pharmacy, Hangzhou Normal University, Hangzhou, Zhejiang 311121, China., Xu J; School of Pharmacy, Hangzhou Normal University, Hangzhou, Zhejiang 311121, China., Lin J; Department of Stomatology, The First Affiliated Hospital, Zhejiang University School of Medicine, Hangzhou 310000, China. Electronic address: junlin2@zju.edu.cn., Shen JW; School of Pharmacy, Hangzhou Normal University, Hangzhou, Zhejiang 311121, China. Electronic address: shen.jiawei@hotmail.com., Zheng Y; Department of Rehabilitation, Affiliated Hangzhou First People's Hospital, School of Medicine, Westlake University, 261 Huansha Road, Hangzhou, Zhejiang 310006, China; Department of Intensive Care Unit, Hangzhou Geriatric Hospital, Hangzhou 310022, China. Electronic address: zyk97091@163.com.
Jazyk: angličtina
Zdroj: Colloids and surfaces. B, Biointerfaces [Colloids Surf B Biointerfaces] 2025 Jan; Vol. 245, pp. 114340. Date of Electronic Publication: 2024 Oct 28.
DOI: 10.1016/j.colsurfb.2024.114340
Abstrakt: In recent years, as a new type of quasi-zero-dimensional nanomaterials, graphene quantum dots (GQDs) have shown excellent performance in advanced drug targeted delivery and controlled release. In this work, the delivery process of model drugs translocating into POPC lipid membrane with the assistance of GQDs was investigated via molecular dynamics (MD) simulation. Our simulation results demonstrated that a single doxorubicin (DOX) or deoxyadenine (DA) molecule is difficult to penetrate into the cell membrane. GQD7 could form sandwich-like structure with DOX and assist DOX to enter into the POPC membrane. However, due to the weak interaction with DA, both GQD7 and GQD19 can not assist DA translocating the POPC membrane in the limited MD simulation time. The drug delivery process for DOX could be divided into two steps: 1. GQDs and DOX aggregated into a cluster; 2. the aggregates enter into the POPC membrane. In all our simulation systems, if GQDs loaded with model drugs and entered the cell membrane, it had little effect on the cell membrane structure, and the cell membrane could maintain high integrity and stability. These results may promote the molecular design and application of GQD-based drug delivery systems.
Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2024 Elsevier B.V. All rights reserved.)
Databáze: MEDLINE
Externí odkaz: