In silico study and molecular docking of flavonoid derivatives with potential biological activity against Leishmania braziliensis

Leishmaniasis belongs to the neglected disease group, has a high prevalence and is responsible for approximately 70.000 deaths per year worldwide. Recent studies have shown resistance of the parasite to drugs used in the treatment of the disease. From this perspective, the objective of this work is to conduct an in silico study aiming to identify flavonoid derivatives with potential activity against Leishmania braziliensis.

Leishmaniasis belongs to the group of neglected tropical parasitic diseases, it is estimated that the worldwide prevalence is around 12 million cases, and that causes more than 70,000 deaths per year, moreover, studies show an annual incidence of 1.3 million cases and that this number tends to increase. This disease has as etiological agent different species of protozoa of the genus Leishmania, among the main ones is Leishmania braziliensis. Transmission occurs by the bite of infected female sandbrats.

In relation to clinical manifestations, leishmaniasis is characterized in four main forms: cutaneous, mucosal, cutaneomucosa and visceral. Leishmania braziliensis causes a typical tegumentary leishmaniasis, which can evolve to a mucous form.

Leishmania braziliensis is a clinically and epidemiologically important species, due to the wide distribution of the parasite in Latin America and also because of the high resistance to drugs used in the first-line treatment.

Thus, the present work aims to conduct an in silico study of ten flavonoid derivatives, aiming to identify compounds with possible activity against Leishmania braziliensis.