DESIGN, SYNTHESIS AND VIRTUAL SCREENING OF CERTAIN 2-PYRAZOLIN-5-ONE AND PYRAZOLIDINE-3, 5-DIONE DERIVATIVES AS POTENTIAL PPAR AGONISTSAbstract
In the quest for novel PPARg agonists as putative drugs for the treatment of type 2 diabetes, a new series of 2-pyrazolin-5-one and pyrazolidine-3, 5-dione derivatives, were designed and synthesized, as analogues to the anti-diabetic thiazolidinedione agents (TZDs). Extensive molecular modeling studies for the designed molecules were performed; including their compare-fit studies on the generated and validated PPARg agonist’s hypothesis and their molecular docking on the binding sites of the 3D structure of the PPARg receptors.
Mohamed A. H. Ismaila,*, Dalal A. Abou El Ella, Khaled A. M. Abouzid, and Maiy Jaballah
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, El Khalifa ElMaamoon St., 11566, Abbasseya, Cairo, Egypt
27 May, 2012
22 August, 2012
26 September, 2012
01 October, 2012