N1-(3-(Trifluoromethyl)Phenyl) Isophthalamide Derivatives as Promising Inhibitors of Vascular Endothelial Growth Factor Receptor: Pharmacophore-Based Design, Docking, and MM-PBSA/MM-GBSA Binding Energy Estimation
Targeting protein kinases is a common approach for cancer treatment. In this study, a series of novel terephthalic and isophthalic derivatives were constructed as potential type 2 protein kinase inhibitors adapting pharmacophore features of approved anticancer drugs of this class. Inhibitory activit...
Guardado en:
| Autores principales: | , |
|---|---|
| Formato: | Capítulo de libro |
| Lenguaje: | inglés |
| Publicado: |
IntechOpen
2022
|
| Materias: | |
| Acceso en línea: | https://www.intechopen.com/chapters/83532 |
| Etiquetas: |
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
| Sumario: | Targeting protein kinases is a common approach for cancer treatment. In this study, a series of novel terephthalic and isophthalic derivatives were constructed as potential type 2 protein kinase inhibitors adapting pharmacophore features of approved anticancer drugs of this class. Inhibitory activity of designed structures was studied in silico against various cancer-related protein kinases and compared with that of known inhibitors. Obtained docking scores, MM-PBSA/MM-GBSA binding energy, and RF-Score-VS affinities suggest that N1-(3-(trifluoromethyl) phenyl) isophthalamide could be considered as promising scaffold for the development of novel protein kinase inhibitors which are able to target the inactive conformation of vascular endothelial growth factor receptor. |
|---|---|
| ISBN: | 978-1-80356-467-8 |
| DOI: | 10.5772/intechopen.107236 |