Focused On-demand Library for GATOR1 complex protein NPRL3

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


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 screening 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.


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
Receptor.AI
 
UPACC
Q12980

UPID:
NPRL3_HUMAN

ALTERNATIVE NAMES:
-14 gene protein; Alpha-globin regulatory element-containing gene protein; Nitrogen permease regulator 3-like protein; Protein CGTHBA

ALTERNATIVE UPACC:
Q12980; D3DU40; Q1W6H0; Q4TT56; Q92469

BACKGROUND:
NPRL3, as part of the GATOR1 complex, acts as a critical inhibitor in the amino acid-sensing branch of the mTORC1 pathway. This function is essential for the regulation of cell growth and metabolism, highlighting NPRL3's importance in cellular nutrient response. The protein's ability to toggle mTORC1 activity in response to amino acid levels underscores its potential as a therapeutic target.

THERAPEUTIC SIGNIFICANCE:
The association of NPRL3 with familial focal epilepsy with variable foci 3 underscores its clinical relevance. This genetic disorder, marked by diverse seizure types and possible cognitive impairments, highlights the therapeutic potential of targeting NPRL3. Exploring NPRL3's function could lead to innovative treatments for epilepsy and possibly other mTORC1 pathway-related disorders.

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