AN INVERSE DOCKING APPROACH WITH BIOLOGICAL NETWORKS TO UNDERSTAND THE EFFECT OF C.CITRATUS COMPOUNDS ON CHAGAS DISEASE

GÓMEZ CHÁVEZ, JOSÉ LEONARDO; CONTI, GERMÁN ANDRES; PEREZ, ERNESTO RAFAEL; ANGELINA, EMILIO LUIS; PERUCHENA, NÉLIDA MARÍA

Corrientes

Congreso; XII Argentine Congress of Bioinformatics and Computational Biology (XII CAB2C); 2022

BACKGROUNDThe chronic stage of Chagas disease is characterized by intense cardiomyopathy caused by infection by the parasite Trypanosoma cruzi. Cymbopogon citratus extracts have been shown to be effective at this stage, relieving this pathology by reducing amastigote nets and inflammatory infiltrates in the cardiac tissue of mice.In this work, bioinformatic tools together with chemoinformatic and virtual screening tools were used to understand the mechanism of action at the molecular level of Cymbopogon citratus extract in chagasic cardiomyopathy.RESULTSThe functional enrichment study of the GSE41089 dataset consisting of gene expression data in the heart of mice infected with T. cruzi versus control, resulted in a set ofoverexpressed genes (logFold-Change>1 and adjusted p-value