Focused On-demand Library for Dipeptidyl peptidase 3

Details

Focused On-demand Libraries - Receptor.AI 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.


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.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q9NY33

UPID:
DPP3_HUMAN

ALTERNATIVE NAMES:
Dipeptidyl aminopeptidase III; Dipeptidyl arylamidase III; Dipeptidyl peptidase III; Enkephalinase B

ALTERNATIVE UPACC:
Q9NY33; B2RDB5; B4DLX4; F5H8L6; O95748; Q969H2; Q9BV67; Q9HAL6

BACKGROUND:
Dipeptidyl peptidase 3, also referred to as Dipeptidyl arylamidase III, is instrumental in the metabolic breakdown of key bioactive peptides such as angiotensin and enkephalins, as evidenced by its enzymatic activity on substrates like Arg-Arg-beta-naphthylamide. This specificity underlines its critical function in maintaining homeostasis.

THERAPEUTIC SIGNIFICANCE:
The exploration of Dipeptidyl peptidase 3's function offers a promising avenue for the development of novel therapeutic approaches. Given its crucial role in peptide metabolism, targeting this enzyme could lead to innovative treatments for diseases where peptide regulation is disrupted.

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