AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for BAG family molecular chaperone regulator 5

Available from Reaxense
Predicted by Alphafold

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised 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

Q9UL15

UPID:

BAG5_HUMAN

Alternative names:

Bcl-2-associated athanogene 5

Alternative UPACC:

Q9UL15; O94950; Q86W59

Background:

BAG family molecular chaperone regulator 5, also known as Bcl-2-associated athanogene 5, plays a pivotal role in cellular proteostasis. It acts as a co-chaperone for HSP/HSP70 proteins, facilitating nucleotide-exchange and protein refolding. This protein is crucial in maintaining proteostasis at junctional membrane complexes, serving as a scaffold for HSPA8 chaperone-mediated protein folding. Additionally, it inhibits ubiquitination processes, highlighting its multifaceted role in cellular function.

Therapeutic significance:

Given its involvement in dilated cardiomyopathy, particularly CMD2F, understanding the role of BAG family molecular chaperone regulator 5 could open doors to potential therapeutic strategies. Its essential function in protein folding and proteostasis regulation makes it a promising target for addressing heart failure and arrhythmia associated with CMD2F.

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