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Fragment-based lead discovery (FBLD) also known as fragment-based drug discovery (FBDD) is a method used for finding lead compounds as part of the drug discovery process.
The replacement of traditional heterobases, such as purines or pyrimidines, with selected and easy available heterocycles containing one nitrogen atom, although simple or elemental, allows for a viral target oriented production of small molecules able to display some inhibition activity and suitable for further development under structural modification suggested by docking as well as FBDD analyses.
Coverage includes an introduction to fragment-based drug discovery and why using fragments is more efficient than predominant models, setting up an FBDD report, library building and production, NMR in fragment screening and follow up, and the application of protein-ligand NOE matching to the rapid evaluation of fragment binding poses.
Fragment-based Drug Design (FBDD) helps in visualizing binding modes and hence rationalizes an accelerated SAR allowing efficient lead optimization through CADD.
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