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

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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.


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


 

Fig. 1. The screening 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 distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q9UM47

UPID:
NOTC3_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q9UM47; Q9UEB3; Q9UPL3; Q9Y6L8

BACKGROUND:
The Neurogenic locus notch homolog protein 3, with its critical function in regulating cell-fate through interaction with ligands Jagged1, Jagged2, and Delta1, is essential for the proper implementation of cellular differentiation, proliferation, and apoptotic programs. Its activity is mediated via the notch intracellular domain (NICD) and affects gene activation at the enhancer of split locus.

THERAPEUTIC SIGNIFICANCE:
Given its association with significant diseases such as Cerebral arteriopathy, Myofibromatosis, infantile 2, and Lateral meningocele syndrome, Neurogenic locus notch homolog protein 3 represents a promising target for drug discovery. The exploration of its functions and mechanisms offers a fertile ground for developing novel therapeutic approaches that could alleviate the burden of these diseases.

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