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Applications of 19F-NMR in Fragment-Based Drug Discovery
Review

Native Mass Spectrometry in Fragment-Based Drug Discovery

Eskitis Institute for Drug Discovery, Griffith University, Brisbane 4111, Queensland, Australia
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Author to whom correspondence should be addressed.
Academic Editors: Raymond S. Norton and Raymond S. Norton
Molecules 2016, 21(8), 984; https://doi.org/10.3390/molecules21080984
Received: 24 June 2016 / Revised: 14 July 2016 / Accepted: 23 July 2016 / Published: 28 July 2016
(This article belongs to the Special Issue Developments in Fragment-Based Lead Discovery)
The advent of native mass spectrometry (MS) in 1990 led to the development of new mass spectrometry instrumentation and methodologies for the analysis of noncovalent protein–ligand complexes. Native MS has matured to become a fast, simple, highly sensitive and automatable technique with well-established utility for fragment-based drug discovery (FBDD). Native MS has the capability to directly detect weak ligand binding to proteins, to determine stoichiometry, relative or absolute binding affinities and specificities. Native MS can be used to delineate ligand-binding sites, to elucidate mechanisms of cooperativity and to study the thermodynamics of binding. This review highlights key attributes of native MS for FBDD campaigns. View Full-Text
Keywords: native MS; fragment-based drug discovery; noncovalent interaction; protein-ligand complex; fragment-based screening; binding stoichiometry; binding specificity; binding affinity; structure-activity relationship native MS; fragment-based drug discovery; noncovalent interaction; protein-ligand complex; fragment-based screening; binding stoichiometry; binding specificity; binding affinity; structure-activity relationship
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MDPI and ACS Style

Pedro, L.; Quinn, R.J. Native Mass Spectrometry in Fragment-Based Drug Discovery. Molecules 2016, 21, 984. https://doi.org/10.3390/molecules21080984

AMA Style

Pedro L, Quinn RJ. Native Mass Spectrometry in Fragment-Based Drug Discovery. Molecules. 2016; 21(8):984. https://doi.org/10.3390/molecules21080984

Chicago/Turabian Style

Pedro, Liliana, and Ronald J. Quinn 2016. "Native Mass Spectrometry in Fragment-Based Drug Discovery" Molecules 21, no. 8: 984. https://doi.org/10.3390/molecules21080984

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