Focused On-demand Library for Peptidyl-prolyl cis-trans isomerase A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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:

Cyclophilin A; Cyclosporin A-binding protein; Rotamase A

Alternative UPACC:

P62937; A8K220; P05092; Q3KQW3; Q567Q0; Q6IBU5; Q96IX3; Q9BRU4; Q9BTY9; Q9UC61


Peptidyl-prolyl cis-trans isomerase A, also known as Cyclophilin A, plays a crucial role in protein folding through the cis-trans isomerization of proline imidic peptide bonds. It influences various cellular processes, including leukocyte chemotaxis via BSG/CD147 receptor activation, endothelial cell pro-inflammatory activation, and apoptosis regulation. Additionally, it is involved in oxidative stress response, platelet activation, and viral replication inhibition.

Therapeutic significance:

Understanding the role of Peptidyl-prolyl cis-trans isomerase A could open doors to potential therapeutic strategies. Its involvement in key cellular processes and response to oxidative stress highlights its potential as a target for therapeutic intervention in inflammatory and cardiovascular diseases, as well as in viral infections.

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