Tools for fragment based drug discovery

Library Design

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LIBRARY DESIGN


ZOBIO FRAGMENT LIBRARY

ZoBio is constantly updating its fragment library that currently contains approximately 1,900 commercially available, high quality, compounds. The library is designed as a diverse screening set and can therefore be screened against a variety of target classes, while maintaining a good hit rate. The compounds are rigourously quality controlled and dynamically updated. In addition to the diversity library, ZoBio has a smaller, proprietary fragment library that contains chemical scaffolds which have been synthesized by Mercachem. The specifications of both fragment libraries is shown in the table below.

Specifications of the ZoBio fragment libraries. ZoBio_libraries

 


TARGET FOCUSED LIBRARIES

Creating and screening of a target focused library is a way to access a greater fraction of available fragment space. Based on known structural information of the binding mode of, for example, the endogenous ligand for the target, a pharmacophore screening model is constructed. Such a model describes the 3D pharmacoporic features that are important for binding and are used to select rule of 3 compliant fragments.

Target focused library


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