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Inhibition and structure-activity relationship of dietary flavones against three Loop 1 human gut microbial β-glucuronidases
Wang, Panpan1; Wu, Rongrong1; Jia, Yifei1; Tang, Puipui1; Zhang, Qingwen1; Wang, Yafan2; Yan, Ru1
2022-09
Source PublicationInternational Journal of Biological Macromolecules
Abstract

Gut microbial β-glucuronidases (GUSs) inhibition is a new approach for managing some diseases and medication therapy. However, the structural and functional complexity of GUSs have posed tremendous challenges to discover GUSs inhibitors using Escherichia coli GUS (EcoGUS) alone. This study assessed the effects of twenty-one flavones employing three Loop 1-type GUSs, the main GUSs involved in deglucuronidation of small molecules, on p-nitrophenyl-β-D-glucuronide hydrolysis and a structure-activity relationship is proposed based on in vitro assays and docking study. EcoGUS and Staphylococcus pasteuri GUS showed largely similar inhibition propensities with potencies positively correlating with the total hydroxyl groups and those at ring B of flavones, while docking studies revealed strong interactions developed via ring A and/or C. Streptococcus agalactiae GUS (SagaGUS) displayed
distinct late-onset inhibition and steep dose-response profiles with most tested
compounds. The α-helix in its loop 1 region caused spatial hindrance but offered a hydrophobic surface for contacting with the carbonyl group of flavones is believed to be essential for the allosteric inhibition of SagaGUS. Taken together, the study revealed varied preferences for GUSs belonging to Loop-1 type, highlighting the necessity of adopting multi-GUSs for screening broad-spectrum GUSs inhibitors or tailoring the inhibition based on specific GUS structure.

KeywordGut Microbial Metabolism Β-glucuronidases Gus Inhibitor Flavones Structure-activity Relationship Allosteric Inhibition
Indexed BySCIE
Language英語English
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Corresponding AuthorYan, Ru
Affiliation1.Institute of Chinese Medical Sciences, University of Macau
2.Faculty of Sciences, University of Macau
First Author AffilicationInstitute of Chinese Medical Sciences
Corresponding Author AffilicationInstitute of Chinese Medical Sciences
Recommended Citation
GB/T 7714
Wang, Panpan,Wu, Rongrong,Jia, Yifei,et al. Inhibition and structure-activity relationship of dietary flavones against three Loop 1 human gut microbial β-glucuronidases[J]. International Journal of Biological Macromolecules,2022.
APA Wang, Panpan,Wu, Rongrong,Jia, Yifei,Tang, Puipui,Zhang, Qingwen,Wang, Yafan,&Yan, Ru.(2022).Inhibition and structure-activity relationship of dietary flavones against three Loop 1 human gut microbial β-glucuronidases.International Journal of Biological Macromolecules.
MLA Wang, Panpan,et al."Inhibition and structure-activity relationship of dietary flavones against three Loop 1 human gut microbial β-glucuronidases".International Journal of Biological Macromolecules (2022).
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