Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9BRK3
UPID:
MXRA8_HUMAN
Alternative names:
Limitrin
Alternative UPACC:
Q9BRK3; B3KTR6; B4DE34; Q5TA39; Q96KC3
Background:
Matrix remodeling-associated protein 8, also known as Limitrin, plays a pivotal role in various biological processes. It modulates signaling pathways, mediates cell-cell interactions, and influences osteoclastogenesis, cartilage formation, and angiogenesis. Its ability to interact with integrin ITGAV:ITGB3 and impact signaling pathways like MAP kinase p38 and hedgehog highlights its multifunctionality.
Therapeutic significance:
Understanding the role of Matrix remodeling-associated protein 8 could open doors to potential therapeutic strategies. Its involvement in suppressing endothelial cell migration and promoting apoptosis, alongside inhibiting VEGF and vitronectin-mediated signaling, positions it as a key target in angiogenesis-related diseases.