Computational investigation of Belzutifan drug delivery mechanisms using SiC nanocrystals via combined DFT and molecular dynamics approaches

Computational investigation of Belzutifan drug delivery mechanisms using SiC nanocrystals via combined DFT and molecular dynamics approaches

Abstract This study employs density functional theory (DFT) and molecular dynamics (MD) simulations to investigate silicon carbide (SiC) nanocrystals as carriers for the anticancer drug Belzutifan. Among tested functional groups (-H, -OH, -NH₂, -COOH), carboxyl-functionalized SiC (SiC-COOH) exhibits...

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Bibliographic Details
Main Authors: Wael A. Mahdi, Adel Alhowyan, Ahmad J. Obaidullah
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Belzutifan
SiC nanocrystals
DFT
MD
Drug delivery
Online Access:https://doi.org/10.1038/s41598-025-07366-y
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https://doi.org/10.1038/s41598-025-07366-y

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