AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 51

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

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

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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q70EK9

UPID:

UBP51_HUMAN

Alternative names:

Deubiquitinating enzyme 51; Ubiquitin thioesterase 51; Ubiquitin-specific-processing protease 51

Alternative UPACC:

Q70EK9; Q8IWJ8

Background:

Ubiquitin carboxyl-terminal hydrolase 51, also known as Deubiquitinating enzyme 51, plays a crucial role in DNA damage response by specifically deubiquitinating 'Lys-14' and 'Lys-16' of histone H2A. This action regulates the dynamic assembly/disassembly of TP53BP1 and BRCA1 at double-strand breaks, highlighting its pivotal role in maintaining genomic stability.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 51 could open doors to potential therapeutic strategies, especially in enhancing the efficacy of treatments targeting DNA repair mechanisms in cancer.

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