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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
P13498
UPID:
CY24A_HUMAN
Alternative names:
Cytochrome b(558) alpha chain; Cytochrome b558 subunit alpha; Neutrophil cytochrome b 22 kDa polypeptide; Superoxide-generating NADPH oxidase light chain subunit; p22 phagocyte B-cytochrome; p22-phox
Alternative UPACC:
P13498; Q14090; Q9BR72
Background:
Cytochrome b-245 light chain, also known as p22-phox, plays a pivotal role in the immune system. It is a critical component of the membrane-bound oxidase in phagocytes, generating superoxide to combat pathogens. This protein, with alternative names such as Cytochrome b(558) alpha chain and Neutrophil cytochrome b 22 kDa polypeptide, is essential for effective immune responses.
Therapeutic significance:
The protein is directly linked to Granulomatous disease, chronic, autosomal recessive, 4, characterized by severe infections and chronic inflammation due to impaired reactive oxygen species production by phagocytes. Targeting p22-phox could lead to innovative treatments for this primary immunodeficiency.