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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.