Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q6AZZ1

UPID:
TRI68_HUMAN

ALTERNATIVE NAMES:
RING finger protein 137; RING-type E3 ubiquitin transferase TRIM68; SSA protein SS-56; Tripartite motif-containing protein 68

ALTERNATIVE UPACC:
Q6AZZ1; A6NI19; A8K551; B3KPM5; B4DVK4; Q8WZ70; Q96LE5; Q96PF7; Q9H9C2; Q9NW18

BACKGROUND:
The protein E3 ubiquitin-protein ligase TRIM68, also referred to as RING-type E3 ubiquitin transferase TRIM68 or SSA protein SS-56, is integral to ubiquitin-mediated proteolysis. Its activity as a ubiquitin E3 ligase and coactivator of androgen receptor underscores its significance in protein regulation.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of E3 ubiquitin-protein ligase TRIM68 offers a pathway to novel therapeutic avenues. Its critical role in ubiquitin ligase activity and androgen receptor modulation highlights its potential as a therapeutic target.

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