Focused On-demand Library for OTU domain-containing protein 3

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


 

Fig. 1. The screening 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 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
Q5T2D3

UPID:
OTUD3_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q5T2D3; O75047

BACKGROUND:
The OTU domain-containing protein 3 is a deubiquitinating enzyme, essential for the hydrolysis of 'Lys-6'- and 'Lys-11'-linked polyubiquitin chains. Its activity is vital for the regulation of energy metabolism, triggered by glucose and fatty acids leading to its nuclear translocation and subsequent acetylation. Within the nucleus, it plays a significant role in stabilizing the nuclear receptor PPARD, thereby regulating the expression of genes involved in key metabolic pathways. Furthermore, it acts as a negative regulator of ribosome quality control, counteracting ubiquitination of ribosomal proteins and ensuring proper protein synthesis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of OTU domain-containing protein 3 offers a promising avenue for developing novel therapeutic approaches, particularly in the realm of metabolic diseases, by targeting its regulatory mechanisms on energy metabolism and protein synthesis.

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