AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Proteasome subunit alpha type-7

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

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

O14818

UPID:

PSA7_HUMAN

Alternative names:

Proteasome subunit RC6-1; Proteasome subunit XAPC7

Alternative UPACC:

O14818; B2R515; Q5JXJ2; Q9BR53; Q9H4K5; Q9UEU8

Background:

Proteasome subunit alpha type-7, also known as Proteasome subunit RC6-1 or XAPC7, is a crucial component of the 20S core proteasome complex, playing a pivotal role in the proteolytic degradation of intracellular proteins. This degradation is essential for maintaining cellular function by removing misfolded, damaged, or no longer needed proteins. The protein is involved in various processes, including ATP-dependent and ubiquitin-independent protein degradation, regulation of HIF-1A under hypoxic conditions, hepatitis C virus translation, and nuclear translocation of the androgen receptor.

Therapeutic significance:

Understanding the role of Proteasome subunit alpha type-7 could open doors to potential therapeutic strategies.

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