In-silico identification of natural inhibitors of human topoisomerase and kinases towards treatment of visceral leishmaniasis.

Abstract

Leishmaniasis is endemic in 98 countries and is closely associated with poverty more than a million new cases are reported per year and 350 million people are at the risk of contracting the infection. For the most severe form of leishmaniasis VL, approximately 300,000 new cases are estimated to occur annually resulting in approximately 40,000 deaths. Current treatment options against leishmaniasis are expensive and laden with serious side effects a longside wide spread resistance by the parasite: In this study therefore, natural inhibitors of leishmanial topoisomerase and kinases were identified form a data base of natural products isolated from Ugandan medicinal plants using in silico docking experiments. According to this research I found out that the best docked ligands are Grandibracteoside B and Grandibracteoside A with binding energies of -33.6003 Kcal/mol and -33.7991Kcal/mol respectively.so these compounds can be modified chemically and tested in-vitro for further research.