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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

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.