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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our top-notch dedicated system is used to design specialised 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9H772
UPID:
GREM2_HUMAN
Alternative names:
Cysteine knot superfamily 1, BMP antagonist 2; DAN domain family member 3; Protein related to DAN and cerberus
Alternative UPACC:
Q9H772; Q86UD9
Background:
Gremlin-2, also known as Cysteine knot superfamily 1, BMP antagonist 2, and DAN domain family member 3, plays a crucial role in modulating BMP2 and BMP4 signaling. This protein is instrumental in embryonic morphogenesis and the regulation of progesterone production in granulosa cells by antagonizing BMP4-induced effects.
Therapeutic significance:
Gremlin-2's involvement in selective tooth agenesis, specifically Tooth agenesis, selective, 9, highlights its potential as a target for therapeutic intervention. Understanding the role of Gremlin-2 could open doors to potential therapeutic strategies.