Metabolomics‐driven approaches for identifying therapeutic targets in drug discovery

Abstract Identification of therapeutic targets can directly elucidate the mechanism and effect of drug therapy, which is a central step in drug development. The disconnect between protein targets and phenotypes under complex mechanisms hampers comprehensive target understanding. Metabolomics, as a s...

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Main Authors: Shanshan Pan, Luan Yin, Jie Liu, Jie Tong, Zichuan Wang, Jiahui Zhao, Xuesong Liu, Yong Chen, Jing Miao, Yuan Zhou, Su Zeng, Tengfei Xu
Format: Article
Language:English
Published: Wiley 2024-11-01
Series:MedComm
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Online Access:https://doi.org/10.1002/mco2.792
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author Shanshan Pan
Luan Yin
Jie Liu
Jie Tong
Zichuan Wang
Jiahui Zhao
Xuesong Liu
Yong Chen
Jing Miao
Yuan Zhou
Su Zeng
Tengfei Xu
author_facet Shanshan Pan
Luan Yin
Jie Liu
Jie Tong
Zichuan Wang
Jiahui Zhao
Xuesong Liu
Yong Chen
Jing Miao
Yuan Zhou
Su Zeng
Tengfei Xu
author_sort Shanshan Pan
collection DOAJ
description Abstract Identification of therapeutic targets can directly elucidate the mechanism and effect of drug therapy, which is a central step in drug development. The disconnect between protein targets and phenotypes under complex mechanisms hampers comprehensive target understanding. Metabolomics, as a systems biology tool that captures phenotypic changes induced by exogenous compounds, has emerged as a valuable approach for target identification. A comprehensive overview was provided in this review to illustrate the principles and advantages of metabolomics, delving into the application of metabolomics in target identification. This review outlines various metabolomics‐based methods, such as dose–response metabolomics, stable isotope‐resolved metabolomics, and multiomics, which identify key enzymes and metabolic pathways affected by exogenous substances through dose‐dependent metabolite–drug interactions. Emerging techniques, including single‐cell metabolomics, artificial intelligence, and mass spectrometry imaging, are also explored for their potential to enhance target discovery. The review emphasizes metabolomics' critical role in advancing our understanding of disease mechanisms and accelerating targeted drug development, while acknowledging current challenges in the field.
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institution Kabale University
issn 2688-2663
language English
publishDate 2024-11-01
publisher Wiley
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series MedComm
spelling doaj-art-118552e1b22746ceb95d94c4c8d0e69b2024-11-14T16:14:36ZengWileyMedComm2688-26632024-11-01511n/an/a10.1002/mco2.792Metabolomics‐driven approaches for identifying therapeutic targets in drug discoveryShanshan Pan0Luan Yin1Jie Liu2Jie Tong3Zichuan Wang4Jiahui Zhao5Xuesong Liu6Yong Chen7Jing Miao8Yuan Zhou9Su Zeng10Tengfei Xu11Research Center for Clinical Pharmacy College of Pharmaceutical Sciences Zhejiang University Hangzhou Zhejiang ChinaCollege of Pharmaceutical Sciences Zhejiang University Hangzhou Zhejiang ChinaCollege of Pharmaceutical Sciences Zhejiang University Hangzhou Zhejiang ChinaDepartment of Radiology and Biomedical Imaging PET Center Yale School of Medicine New Haven Connecticut USAResearch Center for Clinical Pharmacy College of Pharmaceutical Sciences Zhejiang University Hangzhou Zhejiang ChinaSchool of Basic Medical Sciences Zhejiang Chinese Medical University Hangzhou ChinaCollege of Pharmaceutical Sciences Zhejiang University Hangzhou Zhejiang ChinaCollege of Pharmaceutical Sciences Zhejiang University Hangzhou Zhejiang ChinaResearch Center for Clinical Pharmacy College of Pharmaceutical Sciences Zhejiang University Hangzhou Zhejiang ChinaSchool of Basic Medical Sciences Zhejiang Chinese Medical University Hangzhou ChinaResearch Center for Clinical Pharmacy College of Pharmaceutical Sciences Zhejiang University Hangzhou Zhejiang ChinaResearch Center for Clinical Pharmacy College of Pharmaceutical Sciences Zhejiang University Hangzhou Zhejiang ChinaAbstract Identification of therapeutic targets can directly elucidate the mechanism and effect of drug therapy, which is a central step in drug development. The disconnect between protein targets and phenotypes under complex mechanisms hampers comprehensive target understanding. Metabolomics, as a systems biology tool that captures phenotypic changes induced by exogenous compounds, has emerged as a valuable approach for target identification. A comprehensive overview was provided in this review to illustrate the principles and advantages of metabolomics, delving into the application of metabolomics in target identification. This review outlines various metabolomics‐based methods, such as dose–response metabolomics, stable isotope‐resolved metabolomics, and multiomics, which identify key enzymes and metabolic pathways affected by exogenous substances through dose‐dependent metabolite–drug interactions. Emerging techniques, including single‐cell metabolomics, artificial intelligence, and mass spectrometry imaging, are also explored for their potential to enhance target discovery. The review emphasizes metabolomics' critical role in advancing our understanding of disease mechanisms and accelerating targeted drug development, while acknowledging current challenges in the field.https://doi.org/10.1002/mco2.792artificial intelligencedrug developmentmetabolomicssingle‐cell metabolomicstarget identification
spellingShingle Shanshan Pan
Luan Yin
Jie Liu
Jie Tong
Zichuan Wang
Jiahui Zhao
Xuesong Liu
Yong Chen
Jing Miao
Yuan Zhou
Su Zeng
Tengfei Xu
Metabolomics‐driven approaches for identifying therapeutic targets in drug discovery
MedComm
artificial intelligence
drug development
metabolomics
single‐cell metabolomics
target identification
title Metabolomics‐driven approaches for identifying therapeutic targets in drug discovery
title_full Metabolomics‐driven approaches for identifying therapeutic targets in drug discovery
title_fullStr Metabolomics‐driven approaches for identifying therapeutic targets in drug discovery
title_full_unstemmed Metabolomics‐driven approaches for identifying therapeutic targets in drug discovery
title_short Metabolomics‐driven approaches for identifying therapeutic targets in drug discovery
title_sort metabolomics driven approaches for identifying therapeutic targets in drug discovery
topic artificial intelligence
drug development
metabolomics
single‐cell metabolomics
target identification
url https://doi.org/10.1002/mco2.792
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