AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Peptidyl-prolyl cis-trans isomerase-like 1

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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q9Y3C6

UPID:

PPIL1_HUMAN

Alternative names:

Rotamase PPIL1

Alternative UPACC:

Q9Y3C6; O15001; Q5TDC9

Background:

Peptidyl-prolyl cis-trans isomerase-like 1 (PPIL1), also known as Rotamase PPIL1, plays a crucial role in pre-mRNA splicing as part of the spliceosome complex. It accelerates protein folding through the isomerization of proline imidic peptide bonds and is essential for embryonic brain development, independent of its isomerase activity.

Therapeutic significance:

PPIL1's involvement in Pontocerebellar hypoplasia 14, characterized by severe brain development defects, underscores its potential as a target for therapeutic intervention. Understanding the role of PPIL1 could open doors to potential therapeutic strategies.

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