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 enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P0DP57
UPID:
SLUR2_HUMAN
Alternative names:
Secreted LY6/PLAUR domain-containing protein 2; Secreted Ly-6/uPAR-related protein 2
Alternative UPACC:
P0DP57; D3DWI7; G3XAC2; Q86SR0; Q9BZG9
Background:
Secreted Ly-6/uPAR domain-containing protein 2, also known as Secreted LY6/PLAUR domain-containing protein 2 or Secreted Ly-6/uPAR-related protein 2, plays a crucial role in modulating the functional properties of nicotinic and muscarinic acetylcholine receptors. It is involved in regulating keratinocytes proliferation, differentiation, and apoptosis, showcasing its multifaceted role in cellular processes.
Therapeutic significance:
Understanding the role of Secreted Ly-6/uPAR domain-containing protein 2 could open doors to potential therapeutic strategies, particularly in modulating acetylcholine receptor activities for conditions related to keratinocyte dysfunction.