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

Focused On-demand Libraries - Reaxense 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.

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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.