In silico Study of Ornithine Decarboxylase and HSP-90 Gene in the Anti-trypanosomal Activities of Annona muricata Annonaceae

Abstract

Aims: Trypanosomiasis is one of the neglected tropical diseases of Sub-Saharan Africa caused by the numerous species and sub-species of the protozoan genus Trypanosoma. Soursop, also known as Annona muricata (Annonaceae), is a prevalent tropical plant species renowned for its numerous medicinal properties, including the treatment of protozoan infections. The fundamental mechanism of anti-trypanosomal effects of A. muricata was investigated using ornithine decarboxylase and HSP-90, which are validated potential drug targets.
 Place and Duration of Study: Animal Parasitology and Microbiology Research Unit, Department of Animal Production and Health, Federal University of Technology, Akure, Nigeria, between March and October 2022.
 Methodology: The interaction of compounds previously characterized from A. muricata was investigated against Ornithine decarboxylase and HSP-90 genes of Trypanosoma brucei brucei using Autodock Vina.
 Results: Based on their binding affinity and binding free energy, eight compounds (rutin, kaempferol 3-O-rutinoside, annomuricinA, murihexocin B, muricatocin A, acetogenin, asimilobine, and gigantetrocin A) out of the 160 compounds screened were found to be effective against Trypanosoma brucei brucei. The hit molecules were further screened for ADME profiles. Acetogenin and asimilobine were considered the ideal drug candidates because they showed moderation for ADME properties and obeyed Lipinski’s rule of five.
 Conclusion: This study confirmed the use of Annona muricata in the treatment of trypanosomosis and the probable compounds responsible for its antitrypanosomal effect are acetogenin and asimilobine which acts at the HSP-90 genes of the parasite Trypanosoma brucei brucei.