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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P04839
UPID:
CY24B_HUMAN
Alternative names:
CGD91-phox; Cytochrome b(558) subunit beta; Heme-binding membrane glycoprotein gp91phox; NADPH oxidase 2; Neutrophil cytochrome b 91 kDa polypeptide; Superoxide-generating NADPH oxidase heavy chain subunit; gp91-1; gp91-phox; p22 phagocyte B-cytochrome
Alternative UPACC:
P04839; A8K138; Q2PP16
Background:
Cytochrome b-245 heavy chain, known by alternative names such as CGD91-phox and NADPH oxidase 2, 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. Additionally, it functions as a voltage-gated proton channel, aiding in cellular pH regulation and is inhibited by zinc.
Therapeutic significance:
This protein is linked to chronic granulomatous disease, X-linked, and Immunodeficiency 34, conditions characterized by severe infections and susceptibility to mycobacterial diseases. Understanding its function could lead to novel therapeutic strategies targeting these immune deficiencies.