Focused On-demand Library for Xaa-Pro dipeptidase

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

partner

Reaxense

upacc

P12955

UPID:

PEPD_HUMAN

Alternative names:

Imidodipeptidase; Peptidase D; Proline dipeptidase

Alternative UPACC:

P12955; A8K3Z1; A8K416; A8K696; A8MX47; B4DDB7; B4DGJ1; E9PCE8; Q8TBN9; Q9BT75

Background:

Xaa-Pro dipeptidase, also known as Imidodipeptidase, Peptidase D, and Proline dipeptidase, is a crucial enzyme in collagen metabolism. It specializes in the hydrolysis of dipeptides with prolyl or hydroxyprolyl residues at the C-terminal position, favoring Gly-Pro among others. This activity is vital due to the high concentration of iminoacids in collagen, underscoring the enzyme's significant biological role.

Therapeutic significance:

Prolidase deficiency, a multisystem disorder characterized by iminodipeptiduria and reduced prolidase activity, is directly linked to mutations in the gene encoding Xaa-Pro dipeptidase. This connection highlights the enzyme's potential as a target for therapeutic intervention, aiming to alleviate the clinical manifestations such as skin ulcers, developmental delay, and recurrent infections.