Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O60729
UPID:
CC14B_HUMAN
Alternative names:
CDC14 cell division cycle 14 homolog B
Alternative UPACC:
O60729; A6N5X8; A8MQ20; B1AL31; B1AL32; O43183; O60730; Q5JU08
Background:
Dual specificity protein phosphatase CDC14B, also known as CDC14 cell division cycle 14 homolog B, plays a pivotal role in the DNA damage response. It acts as an essential regulator of the G2 DNA damage checkpoint by dephosphorylating FZR1/CDH1, a crucial activator of the anaphase promoting complex/cyclosome (APC/C), and SIRT2 around early anaphase. This action activates the APC/C, leading to the ubiquitination of PLK1 and preventing entry into mitosis, with a preference for proteins modified by proline-directed kinases.
Therapeutic significance:
Understanding the role of Dual specificity protein phosphatase CDC14B could open doors to potential therapeutic strategies.