Binding energies of FDA-approved antagonists to E-Selectin protein

This dataset presents the binding potential of FDA-approved antagonists to the E-selectin molecule, aiming to identify the most effective inhibitors and explore their therapeutic implications. E-selectin plays a pivotal role in inflammation and cancer metastasis by facilitating the adhesion and migration of leukocytes and tumor cells. Using molecular docking techniques, this dataset provides binding energies of several FDA-approved antagonists with the E-selectin protein. These findings offer valuable insights into the potential of these antagonists as therapeutic agents for inflammatory diseases and cancer. The results contribute to the development of more targeted, efficient treatments for conditions where E-selectin plays a crucial role. This dataset highlights the therapeutic promise of repurposing FDA-approved drugs for the inhibition of E-selectin, paving the way for future preclinical and clinical applications.