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

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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

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.