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

Details

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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. 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.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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 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
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, with alternative names such as Ubiquitin thioesterase 16, is essential for the deubiquitination of histone H2A, a key process in transcriptional activation and cell division. It does not act on histone H2B but has a preference for nucleosomal substrates, indicating its specificity and critical role in chromatin remodeling and gene expression.

THERAPEUTIC SIGNIFICANCE:
The exploration of Ubiquitin carboxyl-terminal hydrolase 16's function offers a promising avenue for therapeutic intervention. Its unique role in histone modification and the cell cycle presents opportunities for developing novel treatments for conditions associated with aberrant gene expression and cellular proliferation.

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