Date of Completion

7-2020

Document Type

Thesis

Degree Name

Bachelor of Science in Biochemistry

Keywords

Granzyme B, Molecular Docking, Antidepressant Metabolites, Antitumor Immunity

Abstract

A wide variety of secondary metabolites are present as natural products. Most of them possess various pharmacological properties such as antidepressant activity. Secondary metabolites including alkaloids, phenolic acids, and terpenes with antidepressant property were examined for their potential role in antitumor immunity. To determine their possible role in antitumor immunity, a molecular docking study was done to all 12 selected antidepressant metabolites with the Granzyme B. Few parameters were checked which include the binding affinity, the bond distance in Ǻ, and the amino acids involved in the interaction. Using AutoDock Vina program in UCSF Chimera Software, the Granzyme B-ligand complex docking was carried out. Results showed that chlorogenic acid had the highest binding affinity among the 12 selected antidepressant metabolites, mauritine A with the highest number of interactions with the active site of the enzyme, and gallic acid with the shortest bond distance reported.

First Advisor

Tabitha L. Amora, RCh, PhD

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