Concepts and Core Principles of Fragment-Based Drug Design

Autor:	Kirsch, Philine, Hartman, Alwin M, Hirsch, Anna K H, Empting, Martin
Přispěvatelé:	HIPS, Helmholtz-Institut für Pharmazeutische Forschung Saarland, Universitätscampus E8.1 66123 Saarbrücken, Germany.
Jazyk:	angličtina
Rok vydání:	2019
Předmět:	rule-of-three biophysical screening ligand efficiency fragment-based drug design fragment optimization
Zdroj:	Molecules (Basel, Switzerland) Switzerland
Popis:	In 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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=od______1146::a3377a49ca2cf6acd6bce0ca9b84e260 https://hdl.handle.net/10033/622409 Zobrazit plný text záznamu