Introducing quality assessment and efficient management of cellular thermal shift assay mass spectrometry data

Abstract: Recent advances in molecular biology has led to the discovery of many new potential drugs. However, difficulties with in situ analysis of ligand binding prevents quick advancement in clinical trials, which stresses the need for better direct methods. A relatively new methodology, called Cellular Thermal Shift Assay (CETSA), allows for detection of ligand binding in a cells natural environment and can be used in combination with Mass Spectrometry (MS) for readout. With help from the Pelago Bioscience team, I developed a pipeline for processing of CETSA MS data and a web based system for viewing the results. The system, called CETSA Analytics, also evaluates the results relevance and helps its users to locate information efficiently. CETSA Analytics is currently being tested by Pelago Bioscience AB as a tool for experimental data distribution.