Peganum harmala and its Alkaloids as Dopamine Receptor Antagonists: in Silico Study

Peganum harmala is known to have active metabolites such as alkaloids, which can affect the central nervous system. One of the various alkaloids is thought to be related to their activity as dopamine receptor antagonists, which can be developed in the therapy of various neurological diseases. This study aims to determine the alkaloid from P. harmala, which has the highest potential as the dopamine receptor antagonist. The method used was molecular docking against dopamine receptors with risperidone as the reference ligand. The results showed that among the known alkaloids from P. harmala, dipegine, harmalanine, and harmalacinine showed the highest potency in terms of both free energy of binding and similarity of ligand-receptor interactions. The results of this investigation anticipate that some alkaloids from P. harmala have the potential as the dopamine receptor antagonist.