Focused On-demand Library for OTU domain-containing protein 5

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 Reaxense.


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.


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
Receptor.AI
 
UPACC
Q96G74

UPID:
OTUD5_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme A

ALTERNATIVE UPACC:
Q96G74; B4DGG7; G5E9D7; Q4KMN9; Q8N6T5; Q9H650; Q9H9U0; Q9NT65

BACKGROUND:
Deubiquitinating enzyme A, with alternative name OTU domain-containing protein 5, is integral to suppressing type I interferon production in the innate immune response. It exhibits peptidase activity towards various polyubiquitin chains, influencing neuroectodermal differentiation by preventing the degradation of chromatin regulators such as ARID1A, HDAC2, and HCF1.

THERAPEUTIC SIGNIFICANCE:
Given its association with Multiple congenital anomalies-neurodevelopmental syndrome, X-linked, exploring the role of Deubiquitinating enzyme A could lead to groundbreaking therapeutic strategies.

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