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Applications of NMR in Fragment-Based Drug Design
2015The role of NMR in drug discovery has been significantly reinforced over recent years, particularly in the field of fragment-based drug design. NMR is one of the most robust methods for screening fragment libraries against therapeutic targets, generating few false positives.
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Fragment Based Drug Discovery using rational design
The FASEB Journal, 2007Fragment‐based discovery has recently emerged as a new approach for the generation of novel small molecule therapeutic agents. The use of high throughput X‐ray crystallography, as well as NMR, in fragment‐based discovery approaches will be exemplified in this talk.
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The multiple roles of computational chemistry in fragment-based drug design
Journal of Computer-Aided Molecular Design, 2009Fragment-based drug discovery (FBDD) represents a change in strategy from the screening of molecules with higher molecular weights and physical properties more akin to fully drug-like compounds, to the screening of smaller, less complex molecules. This is because it has been recognised that fragment hit molecules can be efficiently grown and optimised ...
Richard Law +9 more
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NMR Spectroscopy in Fragment Based Drug Design
2009In this chapter we will briefly reiterate critical aspects of solution nuclear magnetic resonance (NMR) spectroscopy approaches and their applications in drug discovery. These approaches are essentially based on a number of NMR techniques that have been developed to monitor and characterize intermolecular interactions.
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[Fragment-based screening: a promising avenue for drug design].
Medecine sciences : M/S, 2015Fragment-based screening is now recognised as a powerful method for the design of novel potent molecules against therapeutic protein targets including challenging targets. Here, the main concepts used in the fragment-based drug design approach are reviewed, together with the reasons for its success. Methods and strategies used to identify, validate and
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Systematic Assessment of Fragment Identification for Multitarget Drug Design
ChemMedChem, 2021Dieter Steinhilber +2 more
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Fragment-Based Drug Design in Lead Discovery
2023André M. Oliveira, Mithun Rudrapal
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Tethering: Fragment-Based Drug Discovery
Annual Review of Biophysics and Biomolecular Structure, 2004James Wells
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Steering Target Selectivity and Potency by Fragment‐Based De Novo Drug Design
Angewandte Chemie - International Edition, 2013Gisbert Schneider +2 more
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