SAR comparative studies on pyrimido[4,5-b][1,4] benzothiazine derivatives as 15-lipoxygenase inhibitors, using ab initio calculations |
| |
| Authors: | Mehdi Bakavoli Hamid Sadeghian Zahra Tabatabaei Elham Rezaei Mohammad Rahimizadeh Mohsen Nikpour |
| |
| Affiliation: | (1) Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Mashhad, 91775-1436, Iran;(2) Department of Chemistry, School of Sciences, Islamic Azad University, Mashhad, 91735-413, Iran;(3) Department of Chemistry, School of Sciences, Islamic Azad University, Farhangshahr, Ahwaz, Iran |
| |
| Abstract: | The enzyme inhibitory activity of a new group of 2-substituted pyrimido[4,5-b][1,4]benzothiazines on soybean 15-lipoxygenase (15-LO) was evaluated and compared with those of their 4-methyl analogs using ab initio calculations. The results of these studies showed that the lack of 4-methyl substituent in the pyrimido[4,5-b][1,4] benzothiazine molecules greatly reduces their 15-LO inhibitory activities. |
| |
| Keywords: | 5-Bromo-2,4-dichloropyrimidine Docking SLO QSAR |
| 本文献已被 PubMed SpringerLink 等数据库收录！ |
|
