Concepts and Core Principles of Fragment-Based Drug Design
| Autor: | Anna K. H. Hirsch, Martin Empting, Alwin M. Hartman, Philine Kirsch |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Computer science
Macromolecular Substances Pharmaceutical Science Review HIGH-THROUGHPUT LIGAND INTERACTIONS 01 natural sciences Analytical Chemistry Set (abstract data type) 03 medical and health sciences biophysical screening Fragment (logic) Evaluation methods Drug Discovery Humans SURFACE-PLASMON RESONANCE Physical and Theoretical Chemistry Enzyme Inhibitors 030304 developmental biology DIFFERENTIAL SCANNING FLUOROMETRY DYNAMIC COMBINATORIAL CHEMISTRY THERMAL SHIFT ASSAYS 0303 health sciences Ligand efficiency ligand efficiency 010405 organic chemistry Management science Drug discovery Organic Chemistry PSEUDOMONAS-AERUGINOSA MICROSCALE THERMOPHORESIS fragment-based drug design 0104 chemical sciences rule-of-three CHEMICAL SPACE Chemistry (miscellaneous) Drug Design Core (graph theory) Molecular Medicine HIT IDENTIFICATION fragment optimization |
| Zdroj: | Molecules |
| ISSN: | 1420-3049 |
| 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 |
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