AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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

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.

partner

Reaxense

upacc

P45877

UPID:

PPIC_HUMAN

Alternative names:

Cyclophilin C; Rotamase C

Alternative UPACC:

P45877; A4LBB5

Background:

Peptidyl-prolyl cis-trans isomerase C, also known as Cyclophilin C or Rotamase C, plays a crucial role in protein folding through its PPIase activity, catalyzing the cis-trans isomerization of proline imidic peptide bonds in oligopeptides. This enzymatic function is vital for the proper folding and function of proteins, impacting a wide range of biological processes.

Therapeutic significance:

Understanding the role of Peptidyl-prolyl cis-trans isomerase C could open doors to potential therapeutic strategies. Its pivotal role in protein folding highlights its importance in cellular functions and its potential as a target for drug discovery, aiming to modulate protein misfolding diseases.

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