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Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity
(SPRINGER, 2009)
In this work, two different docking programs were used, AutoDock and FlexX, which use different types of scoring functions and searching methods. The docking poses of all quinone compounds studied stayed in the same region ...
Trypanothione metabolism as drug target for trypanosomatids
(Bentham Science Publishers, 2020-09)
Chagas Disease, African sleeping sickness, and leishmaniasis are neglected diseases caused by pathogenic trypanosomatid parasites, which have a considerable impact on morbidity and mortality in poor countries. The available ...
Identification of potential trypanothione reductase inhibitors among commercially available beta-carboline derivatives using chemical space, lead-like and drug-like filters, pharmacophore models and molecular docking
(2017)
American trypanosomiasis or Chagas disease caused by the protozoan Trypanosoma cruzi (T. cruzi) is an important endemic trypanosomiasis in Central and South America. This disease was considered to be a priority in the ...