Structural stability, electronic, and thermodynamic insights into Ribociclib encapsulation in PEG-functionalized ZnO nanocarriers

Structural stability, electronic, and thermodynamic insights into Ribociclib encapsulation in PEG-functionalized ZnO nanocarriers

This study employs a comprehensive computational approach to investigate the encapsulation of Ribociclib (Ribo) within polyethylene glycol (PEG)-functionalized zinc oxide (ZnO) nanoparticles (NPs) for targeted drug delivery applications. Using density functional theory (DFT) and molecular dynamics (...

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Bibliographic Details
Main Authors: Mahboubeh Pishnamazi, Kamal Y. Thajudeen, Mohammed Muqtader Ahmed, Saad Ali Alshehri
Format: Article
Language:English
Published: Elsevier 2025-10-01
Series:Case Studies in Thermal Engineering
Subjects:
Ribociclib
ZnO nanoparticles
PEGylation
DFT simulations
Drug delivery
Molecular dynamics
Online Access:http://www.sciencedirect.com/science/article/pii/S2214157X25010949
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