The Inhibition of Sphingosine Kinase Using Modified Variants of Zone 2 of Sphingosine Kinase Inhibitor 1
Session Title
Science and Technology
College
College of Arts and Sciences
Department
Biology
Abstract
Sphingosine-1-phosphate is a bioactive lipid mediator that has been shown to play a critical role in cell migration, survival, and proliferation. It is phosphorylated from sphingosine, which has the opposite effect on cells. Sphingosine inhibits cell proliferation and causes apoptosis. Sphingosine kinase is a lipid kinase that catalyzes the phosphorylation of sphingosine into sphingosine-1- phosphate. Sphingosine kinase 1 is ubiquitously expressed in most cancer cells where it has been linked to cell proliferation, migration, and survival. Based on this information, sphingosine kinase 1 has become a novel target for anticancer therapy. We analyzed the molecular properties of several zone 2 inhibitors of sphingosine kinase inhibitor-1 using Molinspiration and then uploaded the structures into USCF Chimera to visualize and evaluate the docking analysis using Autodock Vina. The binding energies of each inhibitor were recorded from the docking analysis. The docking energies led to the synthetic development of several zone 2 inhibitor compounds which will ideally lead to an optimized inhibitor of sphingosine kinase.
Start Date
15-4-2022 12:00 PM
The Inhibition of Sphingosine Kinase Using Modified Variants of Zone 2 of Sphingosine Kinase Inhibitor 1
Sphingosine-1-phosphate is a bioactive lipid mediator that has been shown to play a critical role in cell migration, survival, and proliferation. It is phosphorylated from sphingosine, which has the opposite effect on cells. Sphingosine inhibits cell proliferation and causes apoptosis. Sphingosine kinase is a lipid kinase that catalyzes the phosphorylation of sphingosine into sphingosine-1- phosphate. Sphingosine kinase 1 is ubiquitously expressed in most cancer cells where it has been linked to cell proliferation, migration, and survival. Based on this information, sphingosine kinase 1 has become a novel target for anticancer therapy. We analyzed the molecular properties of several zone 2 inhibitors of sphingosine kinase inhibitor-1 using Molinspiration and then uploaded the structures into USCF Chimera to visualize and evaluate the docking analysis using Autodock Vina. The binding energies of each inhibitor were recorded from the docking analysis. The docking energies led to the synthetic development of several zone 2 inhibitor compounds which will ideally lead to an optimized inhibitor of sphingosine kinase.
