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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


Our top-notch dedicated system is used to design specialised 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
A6NNE9

UPID:
MARHB_HUMAN

ALTERNATIVE NAMES:
Membrane-associated RING finger protein 11; Membrane-associated RING-CH protein XI; RING-type E3 ubiquitin transferase MARCHF11

ALTERNATIVE UPACC:
A6NNE9; A7E2S6

BACKGROUND:
The protein E3 ubiquitin-protein ligase MARCHF11, with alternative names such as Membrane-associated RING-CH protein XI, is integral to the ubiquitination mechanism. It specifically mediates the polyubiquitination of CD4, a process essential for protein sorting in spermatid development. This enzyme facilitates the transfer of ubiquitin to substrates, highlighting its significance in cellular processes.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of E3 ubiquitin-protein ligase MARCHF11 offers a pathway to uncovering novel therapeutic approaches.

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