Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q9UHL4

UPID:
DPP2_HUMAN

ALTERNATIVE NAMES:
Dipeptidyl aminopeptidase II; Dipeptidyl peptidase 7; Dipeptidyl peptidase II; Quiescent cell proline dipeptidase

ALTERNATIVE UPACC:
Q9UHL4; A8K7U7; Q5VSF1; Q969X4

BACKGROUND:
The enzyme Dipeptidyl peptidase 2, also referred to as Dipeptidyl aminopeptidase II or Dipeptidyl peptidase II, is integral to peptide degradation. This protein's activity is vital for the proper functioning of biological systems, highlighting its importance in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Dipeptidyl peptidase 2 holds the key to unlocking novel therapeutic avenues. Its critical role in peptide metabolism makes it an attractive target for the development of innovative treatments, potentially revolutionizing healthcare solutions.

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