Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 use our state-of-the-art dedicated workflow for designing focused libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9ULV1
UPID:
FZD4_HUMAN
Alternative names:
FzE4
Alternative UPACC:
Q9ULV1; A8K9Q3; Q14C97; Q6S9E4
Background:
Frizzled-4 (FzE4) is a key receptor for Wnt proteins, pivotal in the canonical signaling pathway leading to the activation of gene transcription via beta-catenin accumulation. It plays a crucial role in retinal vascularization, responding to Wnt proteins and norrin to stimulate vascular development and tissue morphogenesis.
Therapeutic significance:
Vitreoretinopathy, exudative 1, a disorder affecting retinal vasculature and potentially leading to blindness, is linked to mutations in the Frizzled-4 gene. Understanding the role of Frizzled-4 could open doors to potential therapeutic strategies for this and related retinal diseases.