Date of Completion

7-2021

Document Type

Thesis

Degree Name

Bachelor of Science in Biochemistry

Keywords

Carbohydrates, Steroids, Hydrolases, Bile Acids and Salts

Abstract

Lactobacillus is a type of probiotic found in the gut that helps with the emulsification of fats via the deconjugation of bile salts using the bile salt hydrolase enzyme, and its activity will be enhanced by prebiotics. However, consuming prebiotic plants may contain a risk of inhibiting the bile salt hydrolase enzyme as these plants also contain carbohydrates and steroids that may act as competitive inhibitors to bile salt. In this study, an in silico docking analysis was performed to compare the docking of bile salt hydrolase with bile salt to the docking of bile salt hydrolase with carbohydrates and steroids from selected Philippine plants in order to find any possible inhibitors. This study utilizes Autodock Vina to dock bile salt hydrolase with each of the metabolites and USCF Chimera to visualize the docking. Upon docking, the binding energy exhibited by the docking of bile salt and bile salt hydrolase is -6.0 kJ/mol. When the docking studies were compared to one another, none of the prebiotic and carbohydrate metabolites had lower energies compared to bile salt, however, among the steroids, alpha-tomatine, beta-sitosterol, daucosterol, degalactotigonin, dehydrotomatine, and eruboside-b are identified to be possible inhibitors of the binding of bile salt to bile salt hydrolase as they have binding energies that are ≤ -6.0 kJ/mol. From the results of our study, it can then be concluded that, among the metabolites of the selected Philippine plants, alphatomatine, beta-sitosterol, daucosterol, degalactotigonin, dehydrotomatine, and eruboside-b may act as a competitive inhibitor of bile salt hydrolase and will thus decrease the deconjugation process of bile salts meaning that the emulsification of lipids will be lowered and thus hyperlipidemia may occur.

First Advisor

Walter Aljohn T. Espiritu

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