The Zenobia Therapeutics Fragment Libraries are handpicked to facilitate Fragment-based Lead Discovery for seasoned drug discovery professionals and scientists aiming to venture into this rapidly growing area of science and translational research.  The scientific team assembled at Zenobia, including Dr. Vicki Nienaber, Dr. Robert Meadows and their scientists, have been conducting fragment screening since the mid-1990s, designing the original Fragment Libraries for NMR and x-ray crystallographic screening.

The ZT Fragment Libraries offer diverse ring assemblies to assemble unique compounds.  The number of unique ring assemblies for each library is represented in the vin diagram above, indicating that each library samples unique areas of fragment chemical space.

Many researchers and commercially available Fragment Libraries employ the “Rule of Three.”  While the Rule of Three is a fair starting point to narrow down the vast array of compounds, it should not be considered the primary or sole parameter when designing Fragment Libraries.  Zenobia uses the teams’ considerable experience to take the design to another level; designing classes of libraries that give you the maximum possible success.

In-house computational approaches include psuedo-3D pharmacophore mapping,  Bayesian probability modeling and bio-property prediction schemes are used during selection, in addition to several other factors.  Compounds may be screened by common methods such as x-ray crystallography, NMR, or SPR.  Since the fragments are selected for solubility, they may also be appropriate for high-concentration biochemical screens and have been used for protein families such as kinases.

These compounds are carefully selected from more than 10 million compounds to select the most appropriate material for our own screens and pass this experience on to our library customers.

• A number of in-house computational approaches including psuedo-3D pharmacophore mapping, Bayesian probability modeling and bio-property prediction schemes are used during our selection process. These may be tailored for specific target classes upon request.
   
• Compounds may be screened by common methods such as x-ray crystallography, NMR, or SPR. Since the fragments are selected for solubility, they may also be appropriate for high-concentration biochemical screens and have been used successfully for protein families such as kinases.

Publications

• Nienaber, et al., (2000) Nature Biotechnology, 18 1105
• Saunders, Nienaber, et al., (2004) J Med Chem 47, 1709
• Muchmore, ...Nienaber (2000) Structure 8, 243
• Hadjuk, Meadows, Fesik (1997) Science 278, 497
• Antonysamy, Steensma et al., Bioorg Med Chem Lett (2009) 19, 279