Focused On-demand Library for Cytosolic non-specific dipeptidase

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


We use our state-of-the-art dedicated workflow for designing focused 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.


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
Q96KP4

UPID:
CNDP2_HUMAN

ALTERNATIVE NAMES:
CNDP dipeptidase 2; Glutamate carboxypeptidase-like protein 1; Peptidase A; Threonyl dipeptidase

ALTERNATIVE UPACC:
Q96KP4; B3KUG4; Q8WY59; Q9BQ94; Q9NVB4; V9HWE5

BACKGROUND:
The enzyme Cytosolic non-specific dipeptidase, with alternative names such as Glutamate carboxypeptidase-like protein 1 and Threonyl dipeptidase, is pivotal in dipeptide catabolism. It demonstrates high dipeptidase activity towards cysteinylglycine and metabolizes N-lactoyl-amino acids, playing a significant role in glutathione metabolism and cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Cytosolic non-specific dipeptidase offers a promising avenue for the development of novel therapeutic approaches. Its critical role in amino acid metabolism and apoptosis regulation highlights its potential as a target in therapeutic strategies aimed at modulating these essential cellular processes.

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