Focused On-demand Library for GTP-binding protein Rit1

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.


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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q92963

UPID:
RIT1_HUMAN

ALTERNATIVE NAMES:
Ras-like protein expressed in many tissues; Ras-like without CAAX protein 1

ALTERNATIVE UPACC:
Q92963; B4DQE8; O00646; O00720; Q5VY89; Q5VY90

BACKGROUND:
The GTP-binding protein Rit1 functions as a critical mediator in various cellular mechanisms, including the NGF-induced activation of signaling pathways essential for cell proliferation, survival, and differentiation. It is known by alternative names such as Ras-like protein expressed in many tissues and Ras-like without CAAX protein 1.

THERAPEUTIC SIGNIFICANCE:
Given Rit1's crucial role in Noonan syndrome 8, a condition marked by a wide range of physical and developmental challenges, exploring its functions further could lead to groundbreaking therapeutic strategies. Understanding the role of Rit1 could open doors to potential therapeutic strategies.

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