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

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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 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

Reaxense

upacc

Q5T2D3

UPID:

OTUD3_HUMAN

Alternative names:

Alternative UPACC:

Q5T2D3; O75047

Background:

OTU domain-containing protein 3 plays a pivotal role in cellular processes by hydrolyzing 'Lys-6'- and 'Lys-11'-linked polyubiquitin, affecting both heterotypic and homotypic chains. This enzyme is a crucial regulator of energy metabolism, responding to glucose and fatty acids with nuclear translocation for acetylation. In the nucleus, it deubiquitinates and stabilizes PPARD, influencing genes related to glucose and lipid metabolism and oxidative phosphorylation. Additionally, it serves as a negative regulator of ribosome quality control by deubiquitinating ribosomal proteins, thus impacting protein synthesis.

Therapeutic significance:

Understanding the role of OTU domain-containing protein 3 could open doors to potential therapeutic strategies by modulating its activity to regulate energy metabolism and protein synthesis, offering insights into treatments for metabolic disorders.