Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 use our state-of-the-art dedicated workflow for designing 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 distinguishes itself through several key aspects:
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.