Discovering potential inhibitors for bile salt hydrolase from Lactobacillus reuteri CRL 1098 using in vitro assays and molecular docking analysis

LEDESMA A E; TARANTO, MARÍA PÍA; BUSTOS, ANA Y.

Jornada; Primeras Jornadas Virtuales SAB 2020; 2020

Bile acids deconjugation by bile salt hydrolase (BSH) enzymes is the most relevantreaction by intestinal microbiota. Currently, BSH activity is considered as a functionalprobiotic biomarker for its health protective effects. On the other hand, some authorshave proposed the use of BSH enzyme inhibitors as an alternative to replace antibioticgrowth promoters (AGP), due to their numerous adverse effects.The objective of this study was identify potential inhibitors of the BSH enzyme from theprobiotic Lactobacillus reuteri CRL 1098 (LrBSH) based on computer and in vitro design.For this, some commonly used feed additives and AGPs were tested as potential LrBSHenzyme inhibitors. Among the tested compounds, 47.11 ± 3.4% inhibition was observedwith ascorbic acid, followed by citric acid (40.14 ± 1.7%), penicillin G (28.8 ± 3.5%),while the lowest inhibition percentage (9 ± 0.5%) was observed with ciprofloxacin.Besides, docking analysis revealed that caffeic acid phenethyl ester (CAPE) had lowerbinding energy (-7.19 kcal/mol) than the bile acid glycodeoxycholic acid, penicillin, andascorbic acid (-6.88, -6.25, and -5.98 kcal/mol, respectively). Our results provide somenew insights into the effect of a potential BSH inhibitor that could be used as alternativeto AGPs