Synthesis, Molecular Docking Analysis and In vitro Evaluation of 1,4-Dihydroxyanthraquinone Derivatives As Anti-Trypanosomal Agents

Hydroxy-substituted anthraquinones are among the most important derivatives in organic synthesis. The attractive biological properties of these compounds are relevant to many therapeutic ar-eas that are of use in clinical applications. In this study synthesized several amino-substituted anthra-quinones were synthesized from 1,4-dihydroxyanthraquinone using a modified Marschalk reaction. Moreover, 1,4,5-trihydroxyanthraquinone was synthesized from anacardic acid, an agro-waste from the cashew industry. The in vitro screening of the compounds against Trypanosoma brucei parasites revealed noteworthy activity with reasonable selectivity against human cell lines. A molecular docking study was performed to analyze the synthesized compounds' modes of interaction to the trypano-thione reductase's active site. Visual inspections examined the docked poses, and test compounds displayed a good binding affinity with the receptor protein. This in vitro/ molecular docking evaluation suggests that substituted 1,4-dihydroxyanthraquinone derivative can be promising starting structures in the search for active drugs against trypanosomiasis.