Silico study: Hepatoprotective effects of capsaicin on the liver of aflatoxin B1-intoxicated mice (Mus musculus).

BACKGROUND

Mycotoxins are secondary metabolites produced by fungi that cause serious diseases and death. Among the mycotoxins, aflatoxins stand out for their significant toxic impact, especially Aflatoxin B1 (AFB1) produced by Aspergillus species. Capsaicin, known for its pungent taste, is also highlighted in this study for its potential health benefits, which have been shown to have beneficial effects on the cardiovascular system, metabolism, analgesia, and management of disorders.

AIM: This study aimed to determine the in silico inhibition effect of capsaicin on the expression of AKT1 and MAPK1 target proteins in mice due to AFB1 induction.

METHODS

Molecular docking is a bioinformatics technique that combines biological knowledge with databases (big data) to ascertain the pattern, affinity, and possible activity of chemical compounds interacting with target proteins. When the Gibbs free energy (ΔG) changes, protein-ligand interaction occurs.

RESULTS

The findings demonstrated that molecular docking, protein-ligand interactions, homology modeling, target protein prediction, protein interaction analysis, and molecular visualization in silico. The target proteins AKT1 and MAPK1 were highly expressed in the AFB1 binding prediction results in mice (Mus musculus). The tethering of negative Gibbs free energy molecules was deemed satisfactory, and 3D virtual visualization demonstrated excellent adhesion to the receptors of the molecules.

CONCLUSION

Capsaicin can synergistically inhibit regulatory cells through the AKT 1 and MAPK 1 signaling pathways, potentiating the hepatotoxicity action protective effect of capsaicin against AFB-1 intoxication. Therefore, capsaicin is a potential candidate for herbal medicine as a hepatoprotective agent.