Prospecting biochemical targets for in silico study for antileishmania chemotherapy

Abstract

The objective of this work is to carry out a prospection of docking molecular on biochemical targets of Leishmania sp. The scientific prospection was executed in May /2017 and based on the search for articles in the Virtual Health Library (VHL). In 2006-2017, 84 articles were selected from several countries, including India, Brazil and Mexico. In the classification of the Protein Data Bank (PDB), molecular targets were found belongs to oxidoreductases, hydrolases, transferases, isomerases, DNA, proteases, etc. The most important species of Leishmania sp. were L. major, L. donovani, L. infantum, L. amazonensis, etc. The 3 main molecular targets were found trypanothione reductase, pteridine reductase and topoisomerase I, besides various targets involved in the immune system, carbohydrate metabolism, ATP, nitrogen bases, amino acids, etc. It was possible to find the 3 most studied enzymes (trypanothione reductase - 2JK6; pteridine reductase 1 - 1E7W; topoisomerase I - 2B9S) what play important biological functions in the parasites and important molecular targets in antileishmania therapy.