MOLECULAR DOCKING AND TOXICITY STUDIES OF SERIES OF COMPOUNDS FROM DIARYL UREA HITS & SPIRO PIPERIDINE INDOLINYL SERIES AS POTENTIAL P2Y1 RECEPTOR ANTAGONISTSAbstract
Scientific investigations revealed that the study of P2Y1 receptors is very much essential in the current scenario because of their potential role in related to various disorders/diseases like thrombosis, cardiovascular problems. P2Y1 receptors belong to G protein-coupled receptors, an important target for ADP induced platelet aggregation. Blockade of P2Y1 receptors leads to the treatment of thrombosis with a potentially improved safe margin. Hence, it is essential to select targeted molecules as P2Y1 receptor antagonists. The present work is to explore P2Y1 receptor antagonists from different series of synthetic compounds by using docking, virtual screening, and toxicity studies. Docking studies were performed and scored to evaluate ligand binding affinities. The present work could be used as a tool to show how different scaffold structures are utilized for the development of suitable P2Y1 receptor antagonists for platelet aggregation activity.
N. V. L. S. Mulukuri *, B. M. Dinesh, D. K. Jha and T. Prabhakar
Department of Pharmaceutical Chemistry, Nitte College of Pharmaceutical Sciences, Govindapura, Gollahalli, NMIT Campus Yelahanka, Bangalore, Karnataka, India.
03 June 2019
03 November 2019
30 November 2019
01 April 2020