Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening 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.


PARTNER
Receptor.AI
 
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:
The enzyme Xaa-Pro dipeptidase, known alternatively as Imidodipeptidase, Peptidase D, and Proline dipeptidase, plays a pivotal role in breaking down dipeptides with prolyl residues. Its preferred substrate, Gly-Pro, among others, is essential for effective collagen metabolism, reflecting the enzyme's importance in maintaining healthy connective tissues.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Xaa-Pro dipeptidase could open doors to potential therapeutic strategies. Its direct involvement in Prolidase deficiency, a condition marked by severe metabolic disruptions leading to skin ulcers and developmental challenges, underscores the enzyme's therapeutic potential. Targeting this enzyme could offer new avenues for treating the underlying causes of this disorder.

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