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.


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 utilise our cutting-edge, exclusive workflow to develop 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
P22314

UPID:
UBA1_HUMAN

ALTERNATIVE NAMES:
Protein A1S9; Ubiquitin-activating enzyme E1

ALTERNATIVE UPACC:
P22314; Q5JRR8; Q96E13

BACKGROUND:
Ubiquitin-like modifier-activating enzyme 1, known alternatively as Ubiquitin-activating enzyme E1 and Protein A1S9, is essential for protein degradation through the ubiquitin-proteasome pathway. It activates ubiquitin, facilitating timely DNA repair and response to replication stress, and is vital for cellular health and function.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Ubiquitin-like modifier-activating enzyme 1 could open doors to potential therapeutic strategies for addressing Spinal muscular atrophy X-linked 2 and VEXAS syndrome. These diseases highlight the enzyme's significance in neuromuscular and inflammatory pathologies.

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