Focused On-demand Library for Neurogenic locus notch homolog protein 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9UM47

UPID:

NOTC3_HUMAN

Alternative names:

Alternative UPACC:

Q9UM47; Q9UEB3; Q9UPL3; Q9Y6L8

Background:

Neurogenic locus notch homolog protein 3, encoded by the gene with accession number Q9UM47, plays a pivotal role in cell-fate determination. It functions as a receptor for membrane-bound ligands such as Jagged1, Jagged2, and Delta1, activating transcriptional activator complexes that influence differentiation, proliferation, and apoptosis.

Therapeutic significance:

This protein's involvement in diseases like Cerebral arteriopathy, Myofibromatosis, infantile 2, and Lateral meningocele syndrome highlights its potential as a target for therapeutic intervention. Understanding the role of Neurogenic locus notch homolog protein 3 could open doors to potential therapeutic strategies, offering hope for patients suffering from these conditions.