Focused On-demand Library for Run domain Beclin-1-interacting and cysteine-rich domain-containing protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

Q92622

UPID:

RUBIC_HUMAN

Alternative names:

Beclin-1 associated RUN domain containing protein

Alternative UPACC:

Q92622; Q96CK5

Background:

The Run domain Beclin-1-interacting and cysteine-rich domain-containing protein, also known as Beclin-1 associated RUN domain containing protein, plays a pivotal role in cellular processes. It inhibits PIK3C3 activity, regulating autophagy by negatively affecting PI3K complex II function. This protein is crucial in endosome maturation, endocytic trafficking, and autophagosome maturation. Additionally, it is involved in the host defense mechanism against bacterial, fungal, and viral infections by modulating NADH oxidase activity, TLR2 signaling, and pro-inflammatory cytokine production.

Therapeutic significance:

Understanding the role of Run domain Beclin-1-interacting and cysteine-rich domain-containing protein could open doors to potential therapeutic strategies, particularly in treating Spinocerebellar ataxia, autosomal recessive, 15, where it is implicated. Its involvement in autophagy, immune response, and cellular trafficking underscores its potential as a target for therapeutic intervention.