AI-ACCELERATED DRUG DISCOVERY

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

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 top-notch dedicated system is used to design specialised 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.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P23284

UPID:

PPIB_HUMAN

Alternative names:

CYP-S1; Cyclophilin B; Rotamase B; S-cyclophilin

Alternative UPACC:

P23284; A8K534; Q6IBH5; Q9BVK5

Background:

Peptidyl-prolyl cis-trans isomerase B, known by alternative names such as CYP-S1, Cyclophilin B, Rotamase B, and S-cyclophilin, plays a crucial role in protein folding. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides, a process essential for proper protein conformation and function.

Therapeutic significance:

The protein is implicated in Osteogenesis imperfecta 9, a severe connective tissue disorder characterized by bone fragility and susceptibility to fractures. Understanding the role of Peptidyl-prolyl cis-trans isomerase B could open doors to potential therapeutic strategies for this condition.

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