2007
DOI: 10.1002/mas.20153
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Mass spectrometry analysis of new chemical entities for pharmaceutical discovery

Abstract: In this Section, we review the applications of mass spectrometry for the analysis and purification of new chemical entities (NCEs) for pharmaceutical discovery. Since the speed of synthesis of NCEs has dramatically increased over the last few years, new high throughput analytical techniques have been developed to keep pace with the synthetic developments. In this Section, we review both novel, as well as modifications of commonly used mass spectrometry techniques that have helped increase the speed of the anal… Show more

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Cited by 26 publications
(18 citation statements)
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“…Herein, we report on the use of flow-injection (FI) data-dependent MS/MS combined with automated library search for the identification of pharmacologically active compounds in tablets and tablet residues. FI is the simplest form of rapid sample introduction into the mass spectrometer, and is widely used for the analysis of new chemical entities for pharmaceutical discovery [35]. A major drawback to FI-MS is ion suppression due to coeluting sample components.…”
Section: Introductionmentioning
confidence: 99%
“…Herein, we report on the use of flow-injection (FI) data-dependent MS/MS combined with automated library search for the identification of pharmacologically active compounds in tablets and tablet residues. FI is the simplest form of rapid sample introduction into the mass spectrometer, and is widely used for the analysis of new chemical entities for pharmaceutical discovery [35]. A major drawback to FI-MS is ion suppression due to coeluting sample components.…”
Section: Introductionmentioning
confidence: 99%
“…This provides a means of driving improvements to ligand design. [21] The role played by mass spectrometry (MS) in drug development has increased in significance over the last ten years, whether as a screen for large ligand libraries [22] or to probe ligand-substrate interactions. [23] With regard to the latter, specific applications have been developed for determining stoichiometry and dissociation constants for biological complexes.…”
Section: Introductionmentioning
confidence: 99%
“…The hybrid liquid chromatography-mass spectrometry technology (LC-MS) using an atmospheric pressure ionization source (API) as the interface has proven to be the cornerstone analytical tool for most bioactive small-molecule assays [11][12][13][14][15][16], due to its inherently high compatibility with various drug-like chemicals with basic physiochemical properties [17,18], i.e., the capability of efficient separation and sensitive detection of a wide diversity of molecular species without the need for derivatization. Furthermore, the MS-based methodology has increasingly occupied a more prominent position than nuclear magnetic resonance in broad-range metabolic profiling and comprehensive metabolomics studies [6,[19][20][21].…”
Section: Introductionmentioning
confidence: 99%