Focused On-demand Library for Armadillo repeat-containing protein 8

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

Q8IUR7

UPID:

ARMC8_HUMAN

Alternative names:

Alternative UPACC:

Q8IUR7; A8K0L2; B7Z441; B7Z453; D3DNE6; F5GWK4; Q6PIL2; Q96D19; Q96HZ5; Q9NV02; Q9NV94; Q9Y4R9

Background:

Armadillo repeat-containing protein 8 plays a crucial role in cellular processes as a component of the CTLH E3 ubiquitin-protein ligase complex. It specifically accepts ubiquitin from UBE2H, leading to the ubiquitination and proteasomal degradation of the transcription factor HBP1. This protein's unique function underscores its importance in regulating transcription and cellular homeostasis.

Therapeutic significance:

Understanding the role of Armadillo repeat-containing protein 8 could open doors to potential therapeutic strategies. Its involvement in the ubiquitination process highlights its potential as a target for modulating protein degradation pathways, offering new avenues for the treatment of diseases where protein homeostasis is disrupted.