Design and In-Silico ADMET Analysis of new Benzopyrane-derived Pim-1 Inhibitors

Pim-1 (Proviral Insertion site of Molony Murine Leukemia virus) kinases is an oncogene which is known to be over expressed and dysregulated in hematological and solid tumors suggesting that inhibition of Pim-1 signaling could provide patients with therapeutic benefits. Herein, we describe our effort towards this goal by using molecular modeling Methods. We have designed (64) compounds derived from 2-(3, 4-dihydro-1-Benzopyran) acetic acid (compound 5). The docking study with Pim-1 crystal structure was performed by using CDocker and Ligand fit docking Methods. Then hits were filtered based on In-silico ADMET properties. This study led to conclude that compounds Benz30 and Benz53 could be promise Pim-1 inhibitors with preferred ADMET properties.