AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q9Y237

UPID:

PIN4_HUMAN

Alternative names:

Parvulin-14; Parvulin-17; Peptidyl-prolyl cis-trans isomerase Pin4; Peptidyl-prolyl cis/trans isomerase EPVH; Rotamase Pin4

Alternative UPACC:

Q9Y237; A8E0G6; B3KXM0; F5H1P5; Q0D2H3; Q3MHV0; Q52M21; Q5HYW6; Q6IRW4

Background:

Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, known by alternative names such as Parvulin-14, Parvulin-17, and Rotamase Pin4, plays a crucial role in ribosome biogenesis through its involvement as a ribosomal RNA processing factor. Isoform 1 of this protein binds to tightly bent AT-rich stretches of double-stranded DNA, while Isoform 2 exhibits affinity for double-stranded DNA without specificity to structure.

Therapeutic significance:

Understanding the role of Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 could open doors to potential therapeutic strategies. Its pivotal function in ribosome biogenesis and DNA interaction suggests a foundational role in cellular processes, making it a target of interest for drug discovery efforts.

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