Carbon and BN nanocones as nano carriers for 5-Fluorouracil, a DFT study
Author(s):
Abstract:
5-Fluorouracil (5-FU) is an anticancer drug. In this work, we have investigated the electronic properties and topological analysis of interaction between 5-FU and carbon nanocone and BN nanocone. The structural stability of isomer complexes of 5-FU with carbon nanocone and BN nanocone have been investigated for two position of interactions. We have found that the most stable complexes are formed of O8 of 5-FU (oxygen that is placed between two nitrogen) connection to nanocones. The factors of Eint and %DEgap, electron mobility, electron density (ρ) and Laplacian of electron density (s2ρb) show a more favorable interaction between the 5-FU drug and BN nanocone due to connection of O8 from 5-FU and Boron atom of BN nanocone. BN nanocone is more sensitive for complex formation with 5-FU drug. It can be concluded that BN nanocone as pharmaceutical nano carrier is an efficient drug carrier. All calculations were performed at M06/6-31* level of DFT method embedded in the Gaussian 03 program.
Keywords:
Language:
English
Published:
International Journal Of Bio-Inorganic Hybrid Nanomaterials, Volume:5 Issue: 4, Winter 2017
Pages:
229 to 234
https://magiran.com/p1705257
دانلود و مطالعه متن این مقاله با یکی از روشهای زیر امکان پذیر است:
اشتراک شخصی
با عضویت و پرداخت آنلاین حق اشتراک یکساله به مبلغ 1,390,000ريال میتوانید 70 عنوان مطلب دانلود کنید!
اشتراک سازمانی
به کتابخانه دانشگاه یا محل کار خود پیشنهاد کنید تا اشتراک سازمانی این پایگاه را برای دسترسی نامحدود همه کاربران به متن مطالب تهیه نمایند!
توجه!
- حق عضویت دریافتی صرف حمایت از نشریات عضو و نگهداری، تکمیل و توسعه مگیران میشود.
- پرداخت حق اشتراک و دانلود مقالات اجازه بازنشر آن در سایر رسانههای چاپی و دیجیتال را به کاربر نمیدهد.
In order to view content subscription is required
Personal subscription
Subscribe magiran.com for 70 € euros via PayPal and download 70 articles during a year.
Organization subscription
Please contact us to subscribe your university or library for unlimited access!