Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

O75604

UPID:

UBP2_HUMAN

Alternative names:

41 kDa ubiquitin-specific protease; Deubiquitinating enzyme 2; Ubiquitin thioesterase 2; Ubiquitin-specific-processing protease 2

Alternative UPACC:

O75604; B0YJB8; E9PPM2; Q8IUM2; Q8IW04; Q96MB9; Q9BQ21

Background:

Ubiquitin carboxyl-terminal hydrolase 2, known by alternative names such as 41 kDa ubiquitin-specific protease and Deubiquitinating enzyme 2, plays a pivotal role in cellular processes. It deubiquitinates polyubiquitinated target proteins like MDM2, MDM4, and CCND1, influencing cell-cycle progression and circadian rhythms. Its activity modulates the degradation of key regulatory proteins, indirectly affecting p53 activity and promoting G1/S cell-cycle progression in both normal and cancer cells. Additionally, it regulates Ca(2+) absorption in the small intestine by controlling the levels of NHERF4 and the activity of the Ca(2+) channel TRPV6.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 2 could open doors to potential therapeutic strategies.