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 utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q14332
UPID:
FZD2_HUMAN
Alternative names:
FzE2
Alternative UPACC:
Q14332; Q0VG82
Background:
Frizzled-2 (FzE2) is a key receptor for Wnt proteins, pivotal in various signaling pathways including the beta-catenin canonical pathway and a PKC-dependent pathway, potentially integrating into the canonical pathway. It plays a crucial role in tissue morphogenesis, cellular polarity, and differentiated tissues. Additionally, FzE2 is hijacked by C.difficile toxin TcdB, blocking Wnt signaling in colonic epithelium.
Therapeutic significance:
Linked to Omodysplasia 2, a rare skeletal dysplasia, through gene variants affecting FzE2, this protein's understanding could pave the way for innovative treatments targeting skeletal malformations and possibly other Wnt signaling-related conditions.