Synthesis, molecular docking analysis and in-vitro evaluation of 1,4-dihydroxyanthraquinone derivatives as anti-trypanosomal agents

Abstract

Abstract: Hydroxy-substituted anthraquinones are among the most important derivatives in organic synthesis. The attractive biological properties of these compounds are relevant to many therapeutic areas that are of use in clinical applications. This study synthesized several amino-substituted anthraquinones 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 trypanothione reductase's active site. Visual inspectionVisual inspections examined the docked poses 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. conclusion: 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. other: The docked poses were examined by visual inspections, and test compounds displayed good binding affinity with the receptor protein