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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
We use our state-of-the-art dedicated workflow for designing 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O60565
UPID:
GREM1_HUMAN
Alternative names:
Cell proliferation-inducing gene 2 protein; Cysteine knot superfamily 1, BMP antagonist 1; DAN domain family member 2; Down-regulated in Mos-transformed cells protein; Increased in high glucose protein 2
Alternative UPACC:
O60565; Q52LV3; Q8N914; Q8N936
Background:
Gremlin-1, known by various names such as Cell proliferation-inducing gene 2 protein and DAN domain family member 2, plays a crucial role in carcinogenesis and organogenesis. It acts as a BMP antagonist, essential for limb outgrowth and patterning by maintaining the FGF4-SHH feedback loop. It also down-regulates BMP4 signaling, influencing osteoblast differentiation and monocyte chemotaxis.
Therapeutic significance:
Gremlin-1's involvement in Polyposis syndrome, mixed hereditary 1, highlights its potential as a therapeutic target. The disease's association with colorectal carcinoma and various polyp morphologies underscores the protein's significance in tumorigenesis and the BMP pathway. Understanding Gremlin-1's role could lead to innovative treatments for this and possibly other related conditions.