Nano Theoretical Study of pH and Solvent Effects on P53 Tumor-Suppressor Gene Mutation
Yazarlar (3)
Nastaran Asghari Moghaddam Islamic Azad University, Science And Research Branch, İran
Majid Sadeghi Zadeh Tarbiat Modares University, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
| Makale Türü | Özgün Makale (ESCI dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Computational and Theoretical Nanoscience | ||
| Dergi ISSN | 1546-1955 Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 03-2015 |
| Cilt / Sayı / Sayfa | 12 / 3 / 356–360 | DOI | 10.1166/jctn.2015.3736 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84925234747&partnerID=MN8TOARS | ||
| Özet |
| In this study we have investigated pH and solvent effect on P53 gene mutation in point of specific sequence which is prone to mutagenesis. The most probable cancerous mutations site for P53 gene is located in exons 5-8. It can be assumed that this location of the genome is sensitive to mutations and most of these mutations occur in cytidine and guanosine (CpG) dinucleotide. In order to identify the effects of acidic (6.8) pH in comparison to normal physiologic (7.4), the computational calculation via Quantum-chemical solvent effect has been done. In this regard, CpG dinucleotide was optimized in solvents media of water, ethanol and DMSO using the self-consistent reaction field model. Non empirical quantum-mechanical calculations at the HF/6-31G levels of theory in the gas phase and solvents at 298 K and 310 K have been performed. The results revealed that CpG nucleotide's free energy was increased in pH of 6.8 which leads to instability of the compound while the ethanol and DMSO are suitable solvents to tolerate acidic pH. Furthermore the dipole moment data revealed great alteration in this quantitiy under the effect of acidic pH. |
| Anahtar Kelimeler |
| Gene mutation | Molecular mechanics | P53 tumor-suppressor gene | PH | Solvent effect |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 47 |
| Scopus | 30 |