C۲۰ fullerene as a promising carrier for nitrosourea anti-cancer drug delivery: DFT studies

Publish Year: 1401
نوع سند: مقاله کنفرانسی
زبان: English
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تاریخ نمایه سازی: 27 تیر 1401


In recent years, nanomaterials have been considered as suitable systems for drug delivery applications [۱]. Targeted drug delivery and controlled release of anticancer drugs is one effective method in the treatment of cancer . To minimize the drug side effects and increase its effectiveness, have been proposed anticancer drug carriers. In order to achieve this, various nano-materials are being explored that could serve as drug carriers [۲,۳]. Recently, nanomaterial-based drug carriers such as fullerenes and fullerene-likes such as B۱۲N۱۲, C۲۰ nanocages have been introduced as potential candidates for various biomedical such as drug delivery, biosensing, imaging because of their capacity for efficient drug loading and targeting. Nitrosourea drug isone of the most widely-used classes of anticancer agents for a wide range of leukemia and solid tumor [۴]. Here we report a density functional theory study on C۲۰ nanocage for drug delivery applications. The main objective of the present work is to investigate the interaction of pristine C۲۰ nanoclusters with an anti-cancer drug (nitrosourea) by means of the density functional theory. Our results represented that C۲۰ nanocage could be used as potential carriers for the delivery of the nitrosourea drug. It is found that nitrosourea molecule can be adsorbed on nanocage with negative binding energy (-۱۱۱۵.۶۴ hartree), indicating the nitrosourea adsorption on C۲۰ surfaces is thermodynamically favored


Mozhgan Sabzehzari

Department of chemistry, Jundi shapur University of Technology, Dezful, ۶۴۶۱۵-۳۳۴