Fig. 10.

Following a molecular dynamics simulation, a schematic representation of the hydrogen bond interaction between potential compounds and the therapeutic targets of Leishmania donovani is shown. Diagram was prepared by extracting the 1001 frame using the allframes.pdb file A Adenosine pentaphosphate and MAP kinase, B Adenosine pentaphosphate and Trypanothione reductase, C Atetra P and MAP kinase, D Atetra P and Trypanothione reductase, E GDP-4-keto-6-deoxymannose and MAP kinase, F GDP-4-keto-6-deoxymannose and Trypanothione reductase