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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q04721
UPID:
NOTC2_HUMAN
Alternative names:
-
Alternative UPACC:
Q04721; Q5T3X7; Q99734; Q9H240
Background:
Neurogenic locus notch homolog protein 2 (NOTCH2) is pivotal in cell-fate determination, interacting with ligands such as Jagged-1, Jagged-2, and Delta-1. This interaction activates transcriptional programs influencing differentiation, proliferation, and apoptosis. NOTCH2 also plays a crucial role in bone remodeling and liver cancer cell renewal.
Therapeutic significance:
NOTCH2's involvement in Alagille syndrome 2 and Hajdu-Cheney syndrome, through gene variants, highlights its potential as a therapeutic target. Understanding NOTCH2's role could lead to novel treatments for these multisystem disorders, emphasizing the importance of its study in drug discovery.