Biophysical methods in early drug discovery

<!DOCTYPE html> <html lang="en-US" xml:lang="en-US"> <head> <meta charset="utf-8"> <meta name="viewport" content="width=device-width, initial-scale=1.0"> <title> Biophysical methods in early drug discovery | ADMET and DMPK </title> <link rel="icon" href="https://pub.iapchem.org/ojs/public/journals/4/favicon_en_US.jpg"> <meta name="generator" content="Open Journal Systems 3.3.0.13"> <link rel="schema.DC" href="http://purl.org/dc/elements/1.1/" /> <meta name="DC.Creator.PersonalName" content="Geoffrey Holdgate"/> <meta name="DC.Creator.PersonalName" content="Kevin Embrey"/> <meta name="DC.Creator.PersonalName" content="Alexander Milbradt"/> <meta name="DC.Creator.PersonalName" content="Gareth Davies"/> <meta name="DC.Date.created" scheme="ISO8601" content="2019-12-10"/> <meta name="DC.Date.dateSubmitted" scheme="ISO8601" content="2019-09-30"/> <meta name="DC.Date.issued" scheme="ISO8601" content="2019-12-10"/> <meta name="DC.Date.modified" scheme="ISO8601" content="2021-03-07"/> <meta name="DC.Description" xml:lang="en" content="Biophysical methods such as mass spectrometry, surface plasmon resonance, nuclear magnetic resonance, and both differential scanning isothermal titration calorimetry are now well established as key components of the early drug discovery process. These approaches are used successfully for a range of activities, including assay development, primary screening, hit confirmation and detailed mechanistic characterisation of compound binding. Matching the speed, sensitivity and information content of the various techniques to the generation of critical data and information required at each phase of the drug discovery process has been key. This review describes the framework by which these methods have been applied in the drug discovery process and provides case studies to exemplify the impact."/> <meta name="DC.Format" scheme="IMT" content="application/pdf"/> <meta name="DC.Format" scheme="IMT" content="image/jpeg"/> <meta name="DC.Format" scheme="IMT" content="image/jpeg"/> <meta name="DC.Format" scheme="IMT" content="image/jpeg"/> <meta name="DC.Format" scheme="IMT" content="image/jpeg"/> <meta name="DC.Format" scheme="IMT" content="image/tiff"/> <meta name="DC.Format" scheme="IMT" content="image/jpeg"/> <meta name="DC.Format" scheme="IMT" content="image/jpeg"/> <meta name="DC.Format" scheme="IMT" content="image/jpeg"/> <meta name="DC.Format" scheme="IMT" content="image/jpeg"/> <meta name="DC.Format" scheme="IMT" content="image/jpeg"/> <meta name="DC.Identifier" content="733"/> <meta name="DC.Identifier.pageNumber" content="222-241"/> <meta name="DC.Identifier.DOI" content="10.5599/admet.733"/> <meta 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href="https://pub.iapchem.org/ojs/index.php/admet/issue/view/75"> Vol. 7 No. 4 (2019) </a> <span class="separator">/</span> </li> <li class="current" aria-current="page"> <span aria-current="page"> Reviews </span> </li> </ol> </nav> <article class="obj_article_details"> <h1 class="page_title"> Biophysical methods in early drug discovery </h1> <div class="row"> <div class="main_entry"> <section class="item authors"> <h2 class="pkp_screen_reader">Authors</h2> <ul class="authors"> <li> <span class="name"> Geoffrey Holdgate </span> <span class="affiliation"> Hit Discovery, Discovery Sciences, R&D, AstraZeneca, Alderley Park, UK </span> </li> <li> <span class="name"> Kevin Embrey </span> <span class="affiliation"> Structure, Biophysics and FBLG, Discovery Sciences, R&D, AstraZeneca, Cambridge, UK </span> </li> <li> <span class="name"> Alexander Milbradt </span> <span class="affiliation"> Structure, Biophysics and FBLG, Discovery Sciences, R&D, AstraZeneca, Cambridge, UK </span> </li> <li> <span class="name"> Gareth Davies </span> <span class="affiliation"> Hit Discovery, Discovery Sciences, R&D, AstraZeneca, Alderley Park, UK </span> </li> </ul> </section> <section class="item doi"> <h2 class="label"> DOI: </h2> <span class="value"> <a href="https://doi.org/10.5599/admet.733"> https://doi.org/10.5599/admet.733 </a> </span> </section> <section class="item keywords"> <h2 class="label"> Keywords: </h2> <span class="value"> Affinity Selection Mass Spectrometry, Surface Plasmon Resonance, Nuclear Magnetic Resonance, Differential Scanning Fluorimetry, Isothermal Titration Calorimetry </span> </section> <section class="item abstract"> <h2 class="label">Abstract</h2> <p>Biophysical methods such as mass spectrometry, surface plasmon resonance, nuclear magnetic resonance, and both differential scanning isothermal titration calorimetry are now well established as key components of the early drug discovery process. These approaches are used successfully for a range of activities, including assay development, primary screening, hit confirmation and detailed mechanistic characterisation of compound binding. Matching the speed, sensitivity and information content of the various techniques to the generation of critical data and information required at each phase of the drug discovery process has been key. This review describes the framework by which these methods have been applied in the drug discovery process and provides case studies to exemplify the impact.</p> </section> <div class="item downloads_chart"> <h3 class="label"> Downloads </h3> <div class="value"> <canvas class="usageStatsGraph" data-object-type="Submission" data-object-id="733"></canvas> <div class="usageStatsUnavailable" data-object-type="Submission" data-object-id="733"> Download data is not yet available. </div> </div> </div> </div> <div class="entry_details"> <div class="item galleys"> <h2 class="pkp_screen_reader"> Downloads </h2> <ul class="value galleys_links"> <li> <a class="obj_galley_link pdf" href="https://pub.iapchem.org/ojs/index.php/admet/article/view/733/pdf"> PDF </a> </li> </ul> </div> <div class="item published"> <section class="sub_item"> <h2 class="label"> Published </h2> <div class="value"> <span>10-12-2019</span> </div> </section> </div> <div class="item citation"> <section class="sub_item citation_display"> <h2 class="label"> How to Cite </h2> <div class="value"> <div id="citationOutput" role="region" aria-live="polite"> <div class="csl-bib-body"> <div class="csl-entry">Holdgate, G., Embrey, K., Milbradt, A., & Davies, G. 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