Estudios bioinformáticos para la identificación de posibles dianas terapéuticas en la enfermedad de Esclerosis Lateral Amiotrófica (ELA)

Abstract

The identification of new therapeutic targets for ALS disease is based on computer-aided drug design (CADD) by analyzing genes such as VCP and VABP against the Drugs-lib database, allowing the best site of action of proteins to be analyzed by virtual screening for drugability. Databases such as MalaCards, OMIM, Harmonizome and KEGG are analyzed to visualize the relevant disease genes. Elite genes that correlate with each other are chosen and grouped according to their dysfunction. In addition, biological networks are created and validated with the DrugBank database. Next, the metabolic pathway of the genes that follow the SOD1 gene mutations is analyzed and the most druggable domains are identified. Finally, the toxicological properties of the linked drugs are analyzed. The search for drug-interacting therapeutic targets is the aim of the present study. The results obtained through virtual screening allow the identification of drugs that may have effects on the disease, these are: Saquinavir and Astemizole, which are associated with the VCP and VABP genes, respectively. The drug Astemizole has better QSAR properties. The importance of the present study is the identification of the most relevant genes and the search for therapeutic targets in Amyotrophic Lateral Sclerosis. The information obtained could be used as a starting point for research into new drugs to counteract neurodegeneration.