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.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q13546
UPID:
RIPK1_HUMAN
Alternative names:
Cell death protein RIP; Receptor-interacting protein 1
Alternative UPACC:
Q13546; A0AV89; B2RAG1; B4E3F9; Q13180; Q59H33
Background:
Receptor-interacting serine/threonine-protein kinase 1 (RIPK1) plays a pivotal role in controlling cell fate through apoptosis and necroptosis, alongside regulating inflammatory responses. It acts as both a kinase, influencing cell death, and a scaffold, modulating survival signals via the NF-kappa-B pathway. Its activity is crucial in preventing aberrant cell death and inflammation, making it a key player in cellular homeostasis.
Therapeutic significance:
RIPK1's involvement in Immunodeficiency 57 with autoinflammation and Autoinflammation with episodic fever and lymphadenopathy highlights its potential as a therapeutic target. By modulating RIPK1 activity, it may be possible to alleviate symptoms of these diseases, offering hope for patients suffering from these debilitating conditions.