Focused On-demand Library for WD repeat-containing protein 20

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

Reaxense

upacc

Q8TBZ3

UPID:

WDR20_HUMAN

Alternative names:

Protein DMR

Alternative UPACC:

Q8TBZ3; B4DN18; E7EUY8; F8W9S4; G3V2F8; G3V5R0; H0YJJ1; Q86TU2; Q8NCN7; Q8WXX2; Q9UF86

Background:

WD repeat-containing protein 20, also known as Protein DMR, plays a crucial role as a regulator of deubiquitinating complexes. It specifically activates the deubiquitinating activity of complexes containing USP12, as evidenced by research findings. This protein anchors at the base of the ubiquitin-contacting loop of USP12, remotely modulating the catalytic center of the enzyme, which highlights its significance in protein regulation.

Therapeutic significance:

Understanding the role of WD repeat-containing protein 20 could open doors to potential therapeutic strategies. Its pivotal function in regulating deubiquitinating complexes suggests its involvement in cellular processes that are critical for maintaining cellular homeostasis and potentially combating diseases.