Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q68DV7

UPID:
RNF43_HUMAN

ALTERNATIVE NAMES:
RING finger protein 43; RING-type E3 ubiquitin transferase RNF43

ALTERNATIVE UPACC:
Q68DV7; A8K4R2; B7Z443; B7Z5D5; B7Z5J5; Q65ZA4; Q6AI04; Q9NXD0

BACKGROUND:
The E3 ubiquitin-protein ligase RNF43, or RING-type E3 ubiquitin transferase RNF43, is a key negative regulator of the Wnt signaling pathway. It orchestrates the ubiquitination and degradation of components of the Wnt receptor complex, affecting both the canonical and non-canonical pathways. Its role is significant in limb specification, working in concert with RSPO2 and ZNRF3.

THERAPEUTIC SIGNIFICANCE:
Linked to the rare Sessile Serrated Polyposis Cancer Syndrome, RNF43's involvement in the development of colorectal cancer through serrated polyps highlights its potential as a therapeutic target. The exploration of RNF43's function in Wnt signaling offers promising avenues for the development of treatments for SSPCS and related conditions.

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