Focused On-demand Libraries - Receptor.AI 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.


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 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.


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
O43567

UPID:
RNF13_HUMAN

ALTERNATIVE NAMES:
RING finger protein 13

ALTERNATIVE UPACC:
O43567; A6NC87; B3KR12; Q05D66; Q6IBJ9

BACKGROUND:
E3 ubiquitin-protein ligase RNF13 regulates crucial cellular processes, including cell proliferation and apoptosis, through its E3 ubiquitin ligase activity. It also plays a significant role in ER stress responses and protein localization, highlighting its multifaceted function in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Developmental and Epileptic Encephalopathy 73, a condition marked by severe epilepsy and cognitive delays, E3 ubiquitin-protein ligase RNF13 presents a promising target for therapeutic intervention. Exploring its functions further could lead to groundbreaking treatments for this and potentially other related disorders.

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