Molecular Modeling Study of Drug-DNA Combined to Single Walled Carbon Nanotube
Yazarlar (2)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran
| Makale Türü | Özgün Makale (ESCI dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Cluster Science | ||
| Dergi ISSN | 1040-7278 Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2012 |
| Cilt / Sayı / Sayfa | 23 / 2 / 259–272 | DOI | 10.1007/s10876-011-0426-y |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84861342507&partnerID=MN8TOARS | ||
| Özet |
| One of the applications of nanotechnology is use of carbon nanotubes for the targeted delivery of drug molecules. To demonstrate the physical and chemical properties of biomolecules and identify new material of drug properties, the interaction of carbon nanotubes (CNTs) with biomolecules is a subject of many investigations. CNTs is a synthetic compound with extraordinary mechanical, thermal, electrical, optical, and chemical properties widely applied for technological purposes. In this article we have tried to investigate thermodynamic parameters and dielectric effects in different solvents for one of the most famous anticancer drug "cisplatin" combined to SWCNT, by Monte Carlo and density functional theory (DFT) calculations. Cause of platinum element in cisplatin we have done calculations as Gibbs free energy, thermal enthalpy, thermal energy and entropy at 6-31G** basis set with SCRF model of solvent. In this work, the major point has been embedded that results of both two methods of Monte Carlo and DFT can overlap with each other and cisplatin- SWCNT is a suitable compound for drug delivery in different media. © 2011 Springer Science+Business Media, LLC. |
| Anahtar Kelimeler |
| Cisplatin-SWNT | DFT | Drug delivery | Monte Carlo | Solvent effect | Thermodynamics properties |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 50 |
| Scopus | 88 |