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The role of mass spectrometry in drug discovery

Gabelica Marković, Vesna; Tavčar, Branka; Cindrić, Mario
The role of mass spectrometry in drug discovery // Medicinal Chemistry In Drug Discovery. Design, Synthesis and Screening / Jelić, Dubravko (ur.).
Kerala, India: Research Signpost - Transworld Research Network, 2013. str. 161-196

The role of mass spectrometry in drug discovery

Gabelica Marković, Vesna ; Tavčar, Branka ; Cindrić, Mario

Vrsta, podvrsta i kategorija rada
Poglavlja u knjigama, znanstveni

Medicinal Chemistry In Drug Discovery. Design, Synthesis and Screening

Jelić, Dubravko

Research Signpost - Transworld Research Network

Kerala, India


Raspon stranica


Ključne riječi
Mass spectrometry ; drug discovery

Mass spectrometry (MS) has proven its status as the most powerful analytical tool in modern drug discovery process. This status was achieved upon development of soft ionization techniques such as electrospray (ESI) and matrix-assisted laser desorption/ionization (MALDI), which considerably increased the speed, sensitivity and specificity of the analysis. Therefore, these techniques have become irreplaceable in all chemistry-related disciplines, especially in parallel and combinatorial chemistry, for confirmation of molecular ions, identification of impurities, in qualitative and quantitative bioanalysis of samples from in vitro and in vivo pharmacokinetic experiments, protein identification, etc. The main reason for its broad application to different fields is the amount of valuable information that can be obtained from a wide variety of samples. This review provides a brief description of the most common types of instrumentation and applications of these techniques in the drug discovery process. Application of mass spectrometry in chemistry to the process of compound discovery and identity confirmation in drug discovery research will be described first. Usage of MS in the drug metabolism and pharmacokinetics (DMPK) field, which is considered as a critical step for the progress and selection of drug candidates, will be presented as a next important application in the field. And finally, we describe application to protein and peptide structure determination, which is of enormous importance for the biology and bioinformatics of drug discovery.

Izvorni jezik

Znanstvena područja
Kemija, Biologija, Farmacija


Institut "Ruđer Bošković", Zagreb,
Fidelta d.o.o.