Focused On-demand Library for NEDD8-conjugating enzyme Ubc12

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


Our top-notch dedicated system is used to design specialised 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
P61081

UPID:
UBC12_HUMAN

ALTERNATIVE NAMES:
NEDD8 carrier protein; Ubiquitin-conjugating enzyme E2 M

ALTERNATIVE UPACC:
P61081; O76069; Q8VC50

BACKGROUND:
NEDD8-conjugating enzyme Ubc12, recognized alternatively as NEDD8 carrier protein or Ubiquitin-conjugating enzyme E2 M, is integral to the neddylation pathway. It receives NEDD8 from the UBA3-NAE1 E1 complex and ensures its covalent linkage to proteins like CUL1-4. Its unique interaction with E3 ubiquitin ligase RBX1, distinguishing it from RBX2, highlights its specificity in targeting proteins for neddylation, a process vital for cellular proliferation.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of NEDD8-conjugating enzyme Ubc12 unveils potential avenues for therapeutic intervention.

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