Focused On-demand Library for Dipeptidyl peptidase 8

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct 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.

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.







Alternative names:

Dipeptidyl peptidase IV-related protein 1; Dipeptidyl peptidase VIII; Prolyl dipeptidase DPP8

Alternative UPACC:

Q6V1X1; Q7Z4C8; Q7Z4D3; Q7Z4E1; Q8IWG7; Q8NEM5; Q96JX1; Q9HBM2; Q9HBM3; Q9HBM4; Q9HBM5; Q9NXF4


Dipeptidyl peptidase 8 (DPP8), also known as Dipeptidyl peptidase IV-related protein 1 and Prolyl dipeptidase DPP8, plays a crucial role in protein metabolism. It specifically cleaves off N-terminal dipeptides from proteins with a Pro or Ala residue at position 2. DPP8 acts as a significant inhibitor of caspase-1-dependent pyroptosis in monocytes and macrophages by preventing the activation of NLRP1 and CARD8, thereby controlling inflammatory responses.

Therapeutic significance:

Understanding the role of Dipeptidyl peptidase 8 could open doors to potential therapeutic strategies, particularly in modulating immune responses and preventing inflammatory diseases.

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