Česká společnost pro hmotnostní spektrometrii

(13. ročník České konference hmotnostní spektrometrie a 11. Neformální proteomické setkání - FrO-19)
Mass Spectrometry in Drug Development: From Screening to Stability and Pharmacokinetics

Karel Chalupsky ^1 *, Alexandra Dvořáková ¹, Anna Janovská ¹, Jaroslav Kozák ¹, Eva Tloušťová ¹, Helena Mertlíková Kaiserová ¹

1. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences

Abstrakt

The continuous emergence of new diseases, antimicrobial resistance, and unmet therapeutic needs highlight the urgent demand for novel drugs with improved safety and efficacy. Drug development is a complex and resource-intensive process requiring rapid, accurate, and sensitive analytical tools to guide decision-making from early discovery to clinical evaluation. Mass spectrometry (MS) has become a cornerstone technology across all stages of this pipeline. In the screening phase, MS-based assays enable high-throughput identification of bioactive compounds by directly monitoring enzymatic reactions, binding events, or metabolite formation with minimal labeling requirements. This accelerates hit validation and structure–activity relationship studies. During lead optimization and preclinical testing, MS provides precise molecular characterization and quantification of drug candidates and their metabolites. In stability studies, MS facilitates the detection of degradation products. Furthermore, MS plays a central role in pharmacokinetic (PK) and ADME (Absorption, Distribution, Metabolism, and Excretion) investigations, allowing sensitive quantification of drugs in biological matrices and elucidation of metabolic pathways that determine bioavailability and clearance. Coupled with liquid chromatography or implemented in miniaturized, high-throughput formats such as acoustic or droplet-based (ECHO-MS), it delivers unparalleled analytical power for both discovery and development. Altogether, mass spectrometry integrates chemical precision with biological insight, making it indispensable for the rational design and comprehensive evaluation of new therapeutic agents in modern drug development.

* Korespondující autor: karel.chalupsky@uochb.cas.cz

Poděkování:

Biochemical Pharmacology Group Helena Mertlíková Kaiserová Anna Janovská Alexandra Dvořáková Jaroslav Kozák Eva Tloušťová