AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 16

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening 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 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

Q9Y5T5

UPID:

UBP16_HUMAN

Alternative names:

Deubiquitinating enzyme 16; Ubiquitin thioesterase 16; Ubiquitin-processing protease UBP-M; Ubiquitin-specific-processing protease 16

Alternative UPACC:

Q9Y5T5; A8MU43; B3KN13; B4DFV8; B4DY37; D3DSD9; Q53GP7; Q53HA0; Q5VKN8; Q8NEL3; Q9H3E6

Background:

Ubiquitin carboxyl-terminal hydrolase 16, also known as Deubiquitinating enzyme 16, plays a pivotal role in cellular processes by specifically deubiquitinating 'Lys-120' of histone H2A, thus acting as a coactivator for epigenetic transcriptional repression. This enzyme is crucial for chromosome segregation during mitosis and regulates Hox gene expression, highlighting its importance in cell cycle progression and development.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 16 could open doors to potential therapeutic strategies. Its ability to modulate gene expression and ensure proper cell cycle progression underscores its potential as a target in diseases where these processes are dysregulated.

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