Focused On-demand Library for Proprotein convertase subtilisin/kexin type 9

Available from Reaxense
Predicted by Alphafold

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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.







Alternative names:

Neural apoptosis-regulated convertase 1; Proprotein convertase 9; Subtilisin/kexin-like protease PC9

Alternative UPACC:

Q8NBP7; A8T640; C0JYY9; Q5PSM5; Q5SZQ2


Proprotein convertase subtilisin/kexin type 9 (PCSK9), also known as Neural apoptosis-regulated convertase 1, plays a pivotal role in cholesterol homeostasis. It binds to and promotes the degradation of receptors crucial for low-density lipoprotein (LDL) clearance, such as LDLR and VLDLR. PCSK9's influence extends to modulating epithelial sodium channels, impacting sodium absorption.

Therapeutic significance:

Given its central role in regulating LDL cholesterol levels, PCSK9 is directly implicated in familial hypercholesterolemia, a condition leading to premature coronary heart disease. Targeting PCSK9 offers a promising avenue for therapeutic intervention in managing elevated cholesterol levels and associated cardiovascular risks.

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