Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
P62253

UPID:
UB2G1_HUMAN

ALTERNATIVE NAMES:
E2 ubiquitin-conjugating enzyme G1; E217K; UBC7; Ubiquitin carrier protein G1; Ubiquitin-protein ligase G1

ALTERNATIVE UPACC:
P62253; B2R7P2; D3DTK0; Q99462

BACKGROUND:
Ubiquitin-conjugating enzyme E2 G1, also referred to as UBC7, E217K, or Ubiquitin carrier protein G1, is integral to the ubiquitin-proteasome system. It specializes in the covalent attachment of ubiquitin to target proteins, a process essential for protein degradation, signal transduction, and DNA repair. Its activity includes 'Lys-48'- and 'Lys-63'-linked polyubiquitination, highlighting its versatility in protein modification and its significant role in maintaining cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Ubiquitin-conjugating enzyme E2 G1 unveils new avenues for drug discovery and therapeutic intervention.

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