Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
A4D256
UPID:
CC14C_HUMAN
Alternative names:
CDC14 cell division cycle 14 homolog C
Alternative UPACC:
A4D256; Q2VIP7; Q6NUS3; Q8NCT2
Background:
Dual specificity protein phosphatase CDC14C, also known as CDC14 cell division cycle 14 homolog C, plays a pivotal role in cellular processes by dephosphorylating proteins modified by proline-directed kinases. This enzyme's unique ability to target dual-specificity substrates underscores its importance in the regulation of cell cycle and signal transduction pathways.
Therapeutic significance:
Understanding the role of Dual specificity protein phosphatase CDC14C could open doors to potential therapeutic strategies. Its critical function in cell cycle regulation and signal transduction pathways presents a promising avenue for drug discovery, aiming to target diseases where these pathways are dysregulated.