Mass spectrometry based metabolomics for in vitro systems pharmacology: pitfalls, challenges, and computational solutions.

ABSTRACT:

Introduction

Mass spectrometry based metabolomics has become a promising complement and alternative to transcriptomics and proteomics in many fields including in vitro systems pharmacology. Despite several merits, metabolomics based on liquid chromatography mass spectrometry (LC-MS) is a developing area that is yet attached to several pitfalls and challenges. To reach a level of high reliability and robustness, these issues need to be tackled by implementation of refined experimental and computational protocols.

Objectives

This study illustrates some key pitfalls in LC-MS based metabolomics and introduces an automated computational procedure to compensate for them.

Method

Non-cancerous mammary gland derived cells were exposed to 27 chemicals from four pharmacological

SUBMITTER: Herman S 

PROVIDER: S-EPMC5438430 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature