Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop 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 stands out due to several important features:
partner
Reaxense
upacc
Q92542
UPID:
NICA_HUMAN
Alternative names:
-
Alternative UPACC:
Q92542; Q5T207; Q5T208; Q86VV5
Background:
Nicastrin is a pivotal component of the gamma-secretase complex, essential for the intramembrane cleavage of key proteins such as Notch receptors and APP. This process is crucial for the proper functioning of Notch and Wnt signaling pathways, which are integral to cell differentiation, proliferation, and apoptosis.
Therapeutic significance:
Nicastrin's involvement in Acne inversa, a chronic inflammatory disease, underscores its potential as a therapeutic target. Understanding the role of Nicastrin could open doors to potential therapeutic strategies for this and related conditions.