Publication Type : Journal Article
Publisher : International Journal of Pharmacy and Pharmaceutical Sciences
Source : International Journal of Pharmacy and Pharmaceutical Sciences, Volume 3, p.1-25 (2015)
Keywords : Anticancer, Docking, pyrimidine, sulphonamide, Triazole
Campus : Kochi
School : School of Pharmacy
Department : Pharmaceutical Chemistry & Analysis
Year : 2015
Abstract : Several pyrimidine derivatives were designed for its dual targeted inhibition towards COX-2 and STAT-3. Molecular docking was performed for 28 designed ligands against its dual inhibition towards COX-2 and STAT-3 receptors. The results revealed the type of interactions present between the receptors and ligands for standard and the designed compounds. Some of the designed compounds possess good binding affinity towards COX-2 and STAT-3. Among all designed compound A28 was found to possess good CDOCKER interaction energy, ADME parameters, and Lipinski Rule of 5. These derivatives could be an effective lead in the discovery of dual targeted molecules for the treatment of breast cancer.
Cite this Research Publication : Dr. Saiprabha N, Giles, D., Swamy, gurubasavaraja, and Chaudhary, A., “Pyrimidine Derivatives as Dual Inhibitors of COX-2 and STAT-3 as Potential Anticancer and Anti-Inflammatory Agents – An In Silico Approach”, International Journal of Pharmacy and Pharmaceutical Sciences, vol. 3, pp. 1-25, 2015.