Ab initio computational study of vincristine as a biological active compound: NMR and NBO analyses
Yazarlar (1)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
| Makale Türü | Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale) | ||
| Dergi Adı | Songklanakarin Journal of Science and Technology | ||
| Dergi ISSN | 0125-3395 Scopus Dergi | ||
| Dergi Tarandığı Indeksler | |||
| Makale Dili | İngilizce | Basım Tarihi | 01-2015 |
| Cilt / Sayı / Sayfa | 37 / 3 / 327–343 | DOI | – |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84938862929&partnerID=MN8TOARS | ||
| Özet |
| Vincristine is a biological active alkaloid that has been used clinically against a variety of neoplasms. In the current study we have theoretically investigated the magnetic properties of titled compound to predict physical and chemical properties of vincristine as a biological inhibitor. Ab initio computation using HF and B3LYP with 3-21G(d) and 6-31G(d) level of theory have been performed and then magnetic shielding tensor (σ, ppm), shielding asymmetry (µ), magnetic shielding anisotropy (σ |
| Anahtar Kelimeler |
| Ab initio | Biological | Inhibitor | NBO | NMR | Vincristine |
