Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O75581
UPID:
LRP6_HUMAN
Alternative names:
-
Alternative UPACC:
O75581; Q17RZ2
Background:
Low-density lipoprotein receptor-related protein 6 (LRP6) is a core component of the Wnt-Fzd-LRP5-LRP6 complex, crucial for beta-catenin signaling activation, which influences bone formation and epiblast posterior patterning during gastrulation. Its interaction with the Wnt-induced Fzd/LRP6 coreceptor complex and subsequent recruitment of DVL1 polymers and the AXIN1/GSK3B-complex to the plasma membrane are pivotal for signalosome formation and beta-catenin stabilization.
Therapeutic significance:
LRP6's involvement in coronary artery disease and selective tooth agenesis highlights its potential as a therapeutic target. Understanding the role of LRP6 could open doors to novel strategies for treating these conditions, emphasizing the importance of research into its biological mechanisms and interactions.