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The Underappreciated Diversity of Bile Acid Modifications

101 Pages Posted: 3 May 2023 Publication Status: Review Complete

See all articles by Ipsita Mohanty

Ipsita Mohanty

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences

Helena Mannochio-Russo

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences

Yasin El Abiead

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences

Joshua V. Schweer

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences

Wout Bittremieux

University of Antwerp - Department of Mathematics and Computer Science

Shipei Xing

University of British Columbia (UBC) - Department of Chemistry

Robin Schmid

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences

Simone Zuffa

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences

Felipe Vasquez

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences

Valentina B. Muti

University of Denver - Department of Chemistry and Biochemistry

Jasmine Zemlin

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences

Omar E. Tovar-Herrera

Ben-Gurion University of the Negev - Department of Life Sciences

Sarah Moraïs

Ben-Gurion University of the Negev - Department of Life Sciences

Dhimant Desai

Pennsylvania State University - Department of Pharmacology

Shantu Amin

Pennsylvania State University - Department of Pharmacology

Imhoi Koo

Pennsylvania State University - Center for Molecular Toxicology and Carcinogenesis

Christoph W. Turck

Chinese Academy of Sciences (CAS) - Key Laboratory of Animal Models and Human Disease Mechanisms; Max Planck Institute of Psychiatry - Department of Translational Research in Psychiatry

Itzhak Mizrahi

Ben-Gurion University of the Negev - Department of Life Sciences

Tao Huan

University of British Columbia (UBC) - Department of Chemistry

Andrew D. Patterson

Pennsylvania State University - Center for Molecular Toxicology and Carcinogenesis

Dionicio Siegel

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences

Lee R. Hagey

University of California, San Diego (UCSD) - Department of Medicine

Mingxun Wang

University of California, Riverside (UCR) - Department of Computer Science and Engineering

Allegra T. Aron

University of Denver - Department of Chemistry and Biochemistry

Pieter Dorrestein

University of California, San Diego (UCSD) - Collaborative Mass Spectrometry Innovation Center; University of California, San Diego (UCSD) - Department of Computer Science & Engineering; University of California, San Diego (UCSD) - Department of Pediatrics; University of California, San Diego (UCSD) - Center for Microbiome Innovation; University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences

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Abstract

The repertoire of modifications on bile acids and related steroidal lipids furnished by host and microbial metabolism remains incompletely characterized. To address this knowledge gap, we created a reusable resource of candidate tandem mass spectrometry (MS/MS) spectra by filtering approximately 1.2 billion publicly available MS/MS spectra bile acid-specific MS/MS ion patterns. The thousands of different modifications are distributed throughout animal bodies, including humans, and microbial cultures. We employed this MS/MS library to identify bile acids amidated with polyamines, which were prevalent in carnivores and individuals with inflammatory bowel disease or sleep/circadian disruption. This work not only highlights the existence of many more bile acid modifications than previously recognized but also the value of leveraging public large-scale untargeted metabolomics data as an alternative approach to discovering new metabolites. The availability of a modification-centric bile acid MS/MS library will facilitate future studies investigating the roles of bile acids in health and disease.

Suggested Citation

Mohanty, Ipsita and Mannochio-Russo, Helena and El Abiead, Yasin and Schweer, Joshua V. and Bittremieux, Wout and Xing, Shipei and Schmid, Robin and Zuffa, Simone and Vasquez, Felipe and Muti, Valentina B. and Zemlin, Jasmine and Tovar-Herrera, Omar E. and Moraïs, Sarah and Desai, Dhimant and Amin, Shantu and Koo, Imhoi and Turck, Christoph W. and Mizrahi, Itzhak and Huan, Tao and Patterson, Andrew D. and Siegel, Dionicio and Hagey, Lee R. and Wang, Mingxun and Aron, Allegra T. and Dorrestein, Pieter and Administrator, Sneak Peek, The Underappreciated Diversity of Bile Acid Modifications. Available at SSRN: https://ssrn.com/abstract=4436846 or http://dx.doi.org/10.2139/ssrn.4436846
This version of the paper has not been formally peer reviewed.

Ipsita Mohanty

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences ( email )

Helena Mannochio-Russo

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences ( email )

Yasin El Abiead

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences ( email )

Joshua V. Schweer

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences ( email )

Wout Bittremieux

University of Antwerp - Department of Mathematics and Computer Science ( email )

Shipei Xing

University of British Columbia (UBC) - Department of Chemistry ( email )

Robin Schmid

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences ( email )

Simone Zuffa

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences ( email )

Felipe Vasquez

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences ( email )

Valentina B. Muti

University of Denver - Department of Chemistry and Biochemistry ( email )

Jasmine Zemlin

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences ( email )

Omar E. Tovar-Herrera

Ben-Gurion University of the Negev - Department of Life Sciences ( email )

Sarah Moraïs

Ben-Gurion University of the Negev - Department of Life Sciences ( email )

Dhimant Desai

Pennsylvania State University - Department of Pharmacology ( email )

Shantu Amin

Pennsylvania State University - Department of Pharmacology ( email )

Imhoi Koo

Pennsylvania State University - Center for Molecular Toxicology and Carcinogenesis ( email )

Christoph W. Turck

Chinese Academy of Sciences (CAS) - Key Laboratory of Animal Models and Human Disease Mechanisms ( email )

Max Planck Institute of Psychiatry - Department of Translational Research in Psychiatry ( email )

Munich
Germany

Itzhak Mizrahi

Ben-Gurion University of the Negev - Department of Life Sciences ( email )

Tao Huan

University of British Columbia (UBC) - Department of Chemistry ( email )

Andrew D. Patterson

Pennsylvania State University - Center for Molecular Toxicology and Carcinogenesis ( email )

Dionicio Siegel

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences ( email )

Lee R. Hagey

University of California, San Diego (UCSD) - Department of Medicine ( email )

Mingxun Wang

University of California, Riverside (UCR) - Department of Computer Science and Engineering ( email )

Allegra T. Aron

University of Denver - Department of Chemistry and Biochemistry ( email )

Pieter Dorrestein (Contact Author)

University of California, San Diego (UCSD) - Collaborative Mass Spectrometry Innovation Center ( email )

La Jolla, CA
United States

University of California, San Diego (UCSD) - Department of Computer Science & Engineering ( email )

La Jolla, CA
United States

University of California, San Diego (UCSD) - Department of Pediatrics ( email )

San Diego, CA 92093
United States

University of California, San Diego (UCSD) - Center for Microbiome Innovation ( email )

La Jolla, CA
United States

University of California, San Diego (UCSD) - Skaggs School of Pharmacy and Pharmaceutical Sciences ( email )

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