A Computational Study of Cytotoxicity of Substituted Amides of Pyrazine-2-carboxylic acids Using QSAR and DFT Based Molecular Surface Electrostatic Potential
Yazarlar (6)
Sharieh Hosseini Islamic Azad University, Science And Research Branch, İran
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
Elahe Rajaeian
Islamic Azad University, Arak Branch, İran
Islamic Azad University, Arak Branch, İran
Mohammad Haghgu
Payame Noor University, İran
Payame Noor University, İran
Aliakbar Salari Islamic Azad University, Shahr-E-Rey Branch, İran
Mohammad Reza Gholami
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
| Makale Türü | Özgün Makale (ESCI dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Iranian Journal of Pharmaceutical Research | ||
| Dergi ISSN | 1735-0328 Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2013 |
| Cilt / Sayı / Sayfa | 12 / 4 / 745–750 | DOI | – |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84888087168&partnerID=MN8TOARS | ||
| Özet |
| Pyrazine derivatives are important class of compounds with diverse biological and cytotoxic activities and clinical applications. In this study, B3 p 86 / 6 - 31 ++ G * was used to compute and map the molecular surface electrostatic potentials of a group of substituted amides of pyrazine-2-carboxylic acids to identify common features related to their subsequent cytotoxicities. Several statistical properties including potentials extrema (V |
| Anahtar Kelimeler |
| Antifungal activity | Cytotoxicity | Molecular surface potential | QSAR |
