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dc.contributor.authorKirsch, Philine
dc.contributor.authorHartman, Alwin M
dc.contributor.authorHirsch, Anna K H
dc.contributor.authorEmpting, Martin
dc.date.accessioned2020-08-17T12:34:49Z
dc.date.available2020-08-17T12:34:49Z
dc.date.issued2019-11-26
dc.identifier.citationMolecules. 2019;24(23):4309. Published 2019 Nov 26. doi:10.3390/molecules24234309.en_US
dc.identifier.pmid31779114
dc.identifier.doi10.3390/molecules24234309
dc.identifier.urihttp://hdl.handle.net/10033/622409
dc.description.abstractIn this review, a general introduction to fragment-based drug design and the underlying concepts is given. General considerations and methodologies ranging from library selection/construction over biophysical screening and evaluation methods to in-depth hit qualification and subsequent optimization strategies are discussed. These principles can be generally applied to most classes of drug targets. The examples given for fragment growing, merging, and linking strategies at the end of the review are set in the fields of enzyme-inhibitor design and macromolecule-macromolecule interaction inhibition. Building upon the foundation of fragment-based drug discovery (FBDD) and its methodologies, we also highlight a few new trends in FBDD.en_US
dc.language.isoenen_US
dc.publisherMDPIen_US
dc.rightsAttribution-NonCommercial-ShareAlike 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/4.0/*
dc.subjectbiophysical screeningen_US
dc.subjectfragment optimizationen_US
dc.subjectfragment-based drug designen_US
dc.subjectligand efficiencyen_US
dc.subjectrule-of-threeen_US
dc.titleConcepts and Core Principles of Fragment-Based Drug Design.en_US
dc.typeReviewen_US
dc.typeOtheren_US
dc.identifier.eissn1420-3049
dc.contributor.departmentHIPS, Helmholtz-Institut für Pharmazeutische Forschung Saarland, Universitätscampus E8.1 66123 Saarbrücken, Germany.en_US
dc.identifier.journalMolecules (Basel, Switzerland)en_US
dc.source.volume24
dc.source.issue23
refterms.dateFOA2020-08-17T12:34:50Z
dc.source.journaltitleMolecules (Basel, Switzerland)
dc.source.countrySwitzerland


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Attribution-NonCommercial-ShareAlike 4.0 International
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