Estudos in silico de isocumarinas sintéticas como inibidores da Diidrofolato Redutase com potencial atividade antimalarial

Abstract

Malaria is a disease at risk for about 3 billion people worldwide. Thus, the discovery of new drugs as antimalarials is extremely important. This work aims to study in silico synthetic isocoumarins taken from the literature as potential antimalarial drugs. Initially, the compounds will undergo ADME studies aiming at evaluating the physicochemical profile of the molecules. Next, molecular docking will be performed to estimate the potential of the compounds as inhibitors of dihydrofolate reductase, an important enzyme present in Plasmodium falciparum, the protozoan that transmits malaria. The success of this work will allow us to identify synthetic compounds that can act as new antimalarial agents, thus increasing the options for combating this globally important disease.