Focused On-demand Library for Ras-related protein Rab-27A

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is 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.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P51159

UPID:
RB27A_HUMAN

ALTERNATIVE NAMES:
GTP-binding protein Ram

ALTERNATIVE UPACC:
P51159; O00195; Q6FI40; Q9UIR9; Q9Y5U3

BACKGROUND:
The Ras-related protein Rab-27A, alternatively named GTP-binding protein Ram, is integral to the regulation of the late endocytic pathway. Its active state facilitates a variety of effector proteins, playing a key role in endosomal dynamics, including their positioning, maturation, and secretion. Rab-27A is also vital for the exocytosis of cytotoxic granules in lymphocytes, a process necessary for immune response.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Ras-related protein Rab-27A could open doors to potential therapeutic strategies. Its direct link to Griscelli syndrome 2, marked by severe immunological and neurological manifestations, highlights the protein's potential as a target for therapeutic intervention, offering hope for treatments that could alleviate or cure this debilitating condition.

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