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

Focused On-demand Libraries - Reaxense 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. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project 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.