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 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.


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


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
Q9C030

UPID:
TRIM6_HUMAN

ALTERNATIVE NAMES:
RING finger protein 89; RING-type E3 ubiquitin transferase TRIM6

ALTERNATIVE UPACC:
Q9C030; A8K2A7; B4DDQ5; Q86WZ8; Q9HCR1

BACKGROUND:
The Tripartite motif-containing protein 6 (TRIM6) serves as an E3 ubiquitin ligase, playing a critical role in antiviral defense mechanisms by activating the IKBKE-dependent type I interferon signaling. It works with UBE2K to produce 'Lys-48'-linked polyubiquitin chains, which are essential for IKBKE's function in antiviral signaling. TRIM6's ability to ubiquitinate MYC and its involvement in maintaining embryonic stem cell pluripotency, alongside its role in enhancing RIGI-mediated antiviral responses, underscores its biological significance. Furthermore, TRIM6 ubiquitinates the ebolavirus protein VP35, indicating its role in microbial infections.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Tripartite motif-containing protein 6 unveils new avenues for therapeutic intervention.

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