Chemoinformatic analysis of alkaloids isolated from Peganum genus

Abstract

Peganum genus is rich with its high phytochemical and botanical variability. Peganum species have been used as sedative, antitumor, analgesics, antidepressant, and other medicinal purposes. The aim of this research is to study the molecular diversity of Peganum genus to shed more lights on the structureactivity relationship of the alkaloids isolated from Peganum genus. All Peganum alkaloids were grouped according to their structure properties. A chemoinformatic approach (Swiss Model) was used to determine the molecular targets of these alkaloids. To visualize the results, R programming language was used to generate hierarchical clustering heatmaps. The results of this study helps researcher to better understanding of the structural-activity relationship of Peganum alkaloids.

Chemical-pharmacological analysis of Peganum harmala

“…The root extract has shown particularly high results in anticancer tests. Finally, in silico studies were performed on the interaction of P. harmala substances with dopamine receptors [5], COVID [6] and various molecular targets [7].…”