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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 use our state-of-the-art dedicated workflow for designing 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9BRF8
UPID:
CPPED_HUMAN
Alternative names:
Calcineurin-like phosphoesterase domain-containing protein 1; Complete S-transactivated protein 1
Alternative UPACC:
Q9BRF8; B4DQ68; Q6MZY9; Q9H9M9; Q9NUT6
Background:
Serine/threonine-protein phosphatase CPPED1, also known as Calcineurin-like phosphoesterase domain-containing protein 1 and Complete S-transactivated protein 1, plays a crucial role in cellular processes. It specifically dephosphorylates AKT family kinase at 'Ser-473', a key step in regulating cell cycle progression and apoptosis. This action suggests its significant role in controlling cell survival and proliferation.
Therapeutic significance:
Understanding the role of Serine/threonine-protein phosphatase CPPED1 could open doors to potential therapeutic strategies. Its involvement in cell cycle regulation and apoptosis highlights its potential as a target in cancer therapy, where controlling cell proliferation and inducing cell death are critical.