Virtual screening for novel anticancer agents targeting the PDZ2 domain of syntenin-1

Identifier:  TFG:6610

Handle: https://hdl.handle.net/20.500.11797/TFG6610

Authors:  Arasa Estivill, Guillem

Abstract:
Syntenin-1 is an overexpressed protein in aggressive versions of certain cancers. It has been observed that its inhibition could decrease tumor proliferation. In this project, we used a virtual screening workflow in order to find potential inhibitory molecules that could bind to its PDZ2 domain binding site. We performed a molecular ligand docking of a large library of commercial compounds and developed a pharmacophore model based on the SYNTi ligand in order to filter the molecules that didn't have certain features required for a potent inhibition. This project resulted in a set of 6 molecules that could potentially inhibit syntenin-1 activity.