Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q3MJ13
UPID:
WDR72_HUMAN
Alternative names:
-
Alternative UPACC:
Q3MJ13; Q7Z3I3; Q8N8X2
Background:
WD repeat-containing protein 72 plays a pivotal role in tooth enamel formation, specifically during the maturation phase of amelogenesis. It ensures the normal formation of the enamel matrix and the clearance of enamel proteins, and may assist in the localization of the calcium transporter SLC24A4 to the ameloblast cell membrane.
Therapeutic significance:
The protein is linked to Amelogenesis imperfecta, hypomaturation type, 2A3, a condition characterized by defective enamel formation. Understanding the role of WD repeat-containing protein 72 could open doors to potential therapeutic strategies for this genetic disorder.