Focused On-demand Library for Dipeptidyl peptidase 4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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

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.

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:

ADABP; Adenosine deaminase complexing protein 2; Dipeptidyl peptidase IV; T-cell activation antigen CD26; TP103

Alternative UPACC:

P27487; Q53TN1


Dipeptidyl peptidase 4 (DPP4), also known as CD26, plays a crucial role in immune response, acting as a cell surface glycoprotein receptor essential for T-cell activation. It positively regulates T-cell coactivation, interacts with various proteins such as ADA and CAV1, and is involved in processes like lymphocyte-epithelial cell adhesion and endothelial cell migration. DPP4's serine exopeptidase activity impacts physiological processes by cleaving circulating peptides, including chemokines and growth factors.

Therapeutic significance:

Understanding the role of Dipeptidyl peptidase 4 could open doors to potential therapeutic strategies. Its involvement in T-cell activation and interaction with various proteins presents opportunities for targeted drug development, particularly in immune response modulation and treatment of diseases where T-cell function is compromised.

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