HomeThe Philippine Journal of Biochemistry and Molecular Biology (PJBMB)vol. 2 no. 1 (2021)

The Possible Role of Selected Antidepressant Metabolites in Antitumor Immunity: A Molecular Docking Study of Granzyme B

John Raphiel C. Macatangay | Wynnevania C. Ramos | Shella Mae G. Real | Tabitha Amora

 

Abstract:

Medical researches on cancer treatment and prevention has been in the highest demand for many years. Many patients who undergo such treatments also suffer from clinical depression. The role of secondary metabolites on tumor growth and depression may open up a spectrum of possibilities in the development of an effective treatment against cancer. Secondary metabolites including alkaloids, phenolic acids, and terpenes with antidepressant properties were examined for their potential role in antitumor immunity. To determine their possible role in antitumor immunity, a molecular docking study was performed on twelve selected antidepressant metabolites with Granzyme B by using the Autodock Vina software. Parameters such as the binding affinity, bond distance, as well as amino acid interactions, were measured. Results showed that chlorogenic acid had the highest binding affinity among the 12 selected antidepressant metabolites, while mauritine A displayed the highest number of interactions with the active site of the enzyme. Gallic acid showed the shortest bond distance with the enzyme. The study suggests that chlorogenic acid, mauritine A, and gallic acid have the highest possibility among the selected secondary metabolites of exhibiting antitumor immunity with antidepressant effects which may help in the oncologic treatment of cancer patients who also suffer clinical depression. Further study is encouraged involving other parameters, other classes of secondary metabolites, the compounds’ mechanisms of action, and in vivo researches.