Focused On-demand Library for Neurogenic locus notch homolog protein 1

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P46531

UPID:

NOTC1_HUMAN

Alternative names:

Translocation-associated notch protein TAN-1

Alternative UPACC:

P46531; Q59ED8; Q5SXM3

Background:

Neurogenic locus notch homolog protein 1, also known as Translocation-associated notch protein TAN-1, plays a pivotal role in cell-fate determination, differentiation, proliferation, and apoptosis. It functions as a receptor for membrane-bound ligands such as Jagged-1, Jagged-2, and Delta-1, activating genes critical for development and tissue homeostasis. Notably, it is involved in angiogenesis, thymus maturation of CD4(+) and CD8(+) cells, and cerebellar development.

Therapeutic significance:

Given its involvement in aortic valve disease 1 and Adams-Oliver syndrome 5, understanding the role of Neurogenic locus notch homolog protein 1 could open doors to potential therapeutic strategies. Its critical function in various developmental processes and disease states highlights its potential as a target for therapeutic intervention.