Focused On-demand Library for Sestrin-2

Details

Focused On-demand Libraries - Receptor.AI Collaboration


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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 top-notch dedicated system is used to design specialised 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.


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
Receptor.AI
 
UPACC
P58004

UPID:
SESN2_HUMAN

ALTERNATIVE NAMES:
Hypoxia-induced gene

ALTERNATIVE UPACC:
P58004; Q5T7D0; Q96SI5

BACKGROUND:
Sestrin-2 functions as a metabolic regulator, intricately involved in the TORC1 signaling pathway through its role as a leucine sensor. This protein is essential for the cellular response to leucine availability, oxidative stress, and endoplasmic reticulum stress, mediating processes such as protein translation and autophagic degradation. Its ability to regulate the transcription of genes involved in oxidative stress response further underscores its significance in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Sestrin-2 offers a promising avenue for developing novel therapeutic approaches. Given its critical role in modulating the TORC1 signaling pathway and its protective functions against oxidative and genotoxic stresses, targeting Sestrin-2 could lead to breakthroughs in treating metabolic diseases and enhancing cellular resilience to stress.

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