Focused On-demand Library for Proteasome assembly chaperone 2

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.

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.

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

Q969U7

UPID:

PSMG2_HUMAN

Alternative names:

Hepatocellular carcinoma-susceptibility protein 3; Tumor necrosis factor superfamily member 5-induced protein 1

Alternative UPACC:

Q969U7; B0YJB3; Q6IAH4; Q9NRV1; V9GYH7

Background:

Proteasome assembly chaperone 2 (PAC2), also known as Hepatocellular carcinoma-susceptibility protein 3 and Tumor necrosis factor superfamily member 5-induced protein 1, plays a pivotal role in cellular function by promoting the assembly of the 20S proteasome. This process is crucial for protein degradation and turnover, which is essential for maintaining cellular homeostasis. PAC2, in a heterodimer with PSMG1, binds to proteasome subunits PSMA5 and PSMA7, facilitating the assembly of the proteasome alpha subunits into the alpha ring and preventing its dimerization.

Therapeutic significance:

PAC2's involvement in Proteasome-associated autoinflammatory syndrome 4, a disorder characterized by panniculitis, erythematous skin lesions, and various systemic symptoms, underscores its therapeutic significance. Understanding the role of PAC2 could open doors to potential therapeutic strategies for this autoinflammatory disorder and related conditions.