Summary of project PR001921

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001921. The data can be accessed directly via it's Project DOI: 10.21228/M8DH8T This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

Project ID:	PR001921
Project DOI:	doi: 10.21228/M8DH8T
Project Title:	Prediction of metabolites associated with somatic mutations in cancers by using genome-scale metabolic models and mutation data
Project Summary:	Background Oncometabolites, often generated as a result of a gene mutation, show pro-oncogenic function when abnormally accumulated in cancer cells. Identification of such mutation-associated metabolites will facilitate developing treatment strategies for cancers, but is challenging due to the large number of metabolites in a cell and the presence of multiple genes associated with cancer development. Results Here we report the development of a computational workflow that predicts metabolite-gene-pathway sets. Metabolite-gene-pathway sets present metabolites and metabolic pathways significantly associated with specific somatic mutations in cancers. The computational workflow uses both cancer patient-specific genome-scale metabolic models (GEMs) and mutation data to generate metabolite-gene-pathway sets. A GEM is a computational model that predicts reaction fluxes at a genome scale, and can be constructed in a cell-specific manner by using omics data. The computational workflow is first validated by comparing the resulting metabolite-gene pairs with multi-omics data (i.e., mutation data, RNA-seq data, and metabolome data) from acute myeloid leukemia and renal cell carcinoma samples collected in this study. The computational workflow is further validated by evaluating the metabolite-gene-pathway sets predicted for 18 cancer types, by using RNA-seq data publicly available, in comparison with the reported studies. Therapeutic potential of the resulting metabolite-gene-pathway sets is also discussed. Conclusions Validation of the metabolite-gene-pathway set-predicting computational workflow indicates that a decent number of metabolites and metabolic pathways appear to be significantly associated with specific somatic mutations. The computational workflow and the resulting metabolite-gene-pathway sets will help identify novel oncometabolites, and also suggest cancer treatment strategies.
Institute:	Korea Advanced Institute of Science and Technology (KAIST)
Last Name:	Lee
First Name:	Sang Mi
Address:	291 Daehak-ro, Yuseong-gu, Daejeon, 34141, South Korea
Email:	sandra1996@kaist.ac.kr
Phone:	+82-42-350-3955
Funding Source:	This study was supported by National Research Foundation of Korea (NRF) (RS-2023-00262527), and by the Project of Promoting Inclusive Growth through Artificial Intelligence and Blockchain Technology and Diffusion of Precision Medicine (1711125351) funded by the Ministry of Science and ICT through KAIST’s Korea Policy Center for the Fourth Industrial Revolution. This study was also supported by the KAIST Cross-Generation Collaborative Lab project, the KAIST Key Research Institute (Interdisciplinary Research Group) Project, and Kwon Oh-Hyun Assistant Professor fund of the KAIST Development Foundation.
Publications:	Will be added soon (In press)
Contributors:	GaRyoung Lee, Sang Mi Lee, Sungyoung Lee, Chang Wook Jeong, Hyojin Song, Sang Yup Lee, Hongseok Yun, Youngil Koh, Hyun Uk Kim

Summary of all studies in project PR001921

Study ID	Study Title	Species	Institute	Analysis (* : Contains Untargted data)	Release Date	Version	Samples	Download (* : Contains raw data)
ST003092	Prediction of metabolites associated with somatic mutations in cancers by using genome-scale metabolic models and mutation data	Homo sapiens	Korea Advanced Institute of Science and Technology (KAIST)	MS*	2024-02-20	1	38	Uploaded data (116.4K)