Creation date in repository: 2024-01-09
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. La sintenina-1 és una proteïna sobreexpressada en versions agressives de certs càncers. S'ha observat que la seva inhibició podria disminuir la proliferació tumoral. En aquest projecte, hem utilitzat un flux de treball de cribratge virtual per trobar molècules inhibidores potencials que podrien unir-se al seu lloc d'unió al domini PDZ2. Vam realitzar un acoblament de lligands moleculars d'una gran biblioteca de compostos comercials i vam desenvolupar un model de farmacofor basat en el lligand SYNTi per tal de filtrar les molècules que no tenien certes característiques necessàries per a una inhibició potent. Aquest projecte va donar lloc a un conjunt de 6 molècules que potencialment podrien inhibir l'activitat de la sintenina-1.
Subject: Càncer
Language: en
Subject areas: Bioquímica y biotecnología Biochemistry and biotechnology Bioquímica i biotecnologia
Department: Bioquímica i Biotecnologia
Student: Arasa Estivill, Guillem
Academic year: 2022-2023
Title in different languages: Virtual screening para agentes anticancerígenos contra el dominio PDZ2 de la sintenina-1 Virtual screening per agents anticancerígens enfront el domini PDZ2 de la sintenina-1
Work's public defense date: 2023-06-20
Access rights: info:eu-repo/semantics/openAccess
Keywords: mda-9, PDZ2, molecular docking mda-9, PDZ2, molecular docking mda-9, PDZ2, molecular docking
Confidenciality: No
Title in original language: Virtual screening for novel anticancer agents targeting the PDZ2 domain of syntenin-1
Project director: Pujadas Anguiano, Gerard
Education area(s): Biotecnologia
Entity: Universitat Rovira i Virgili (URV)
Repositori URV