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Native Mass Spectrometry in Fragment-Based Drug 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-establi...

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Detalles Bibliográficos
Autores principales: Pedro, Liliana, Quinn, Ronald J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6274484/
https://www.ncbi.nlm.nih.gov/pubmed/27483215
http://dx.doi.org/10.3390/molecules21080984
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author Pedro, Liliana
Quinn, Ronald J.
author_facet Pedro, Liliana
Quinn, Ronald J.
author_sort Pedro, Liliana
collection PubMed
description 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.
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spelling pubmed-62744842018-12-28 Native Mass Spectrometry in Fragment-Based Drug Discovery Pedro, Liliana Quinn, Ronald J. Molecules Review 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. MDPI 2016-07-28 /pmc/articles/PMC6274484/ /pubmed/27483215 http://dx.doi.org/10.3390/molecules21080984 Text en © 2016 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC-BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Pedro, Liliana
Quinn, Ronald J.
Native Mass Spectrometry in Fragment-Based Drug Discovery
title Native Mass Spectrometry in Fragment-Based Drug Discovery
title_full Native Mass Spectrometry in Fragment-Based Drug Discovery
title_fullStr Native Mass Spectrometry in Fragment-Based Drug Discovery
title_full_unstemmed Native Mass Spectrometry in Fragment-Based Drug Discovery
title_short Native Mass Spectrometry in Fragment-Based Drug Discovery
title_sort native mass spectrometry in fragment-based drug discovery
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6274484/
https://www.ncbi.nlm.nih.gov/pubmed/27483215
http://dx.doi.org/10.3390/molecules21080984
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