AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Carboxypeptidase D

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

 Fig. 1. The sreening 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 stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

O75976

UPID:

CBPD_HUMAN

Alternative names:

Metallocarboxypeptidase D; gp180

Alternative UPACC:

O75976; B7Z7T9; B7ZAU4; F5GZH6; O15377; Q86SH9; Q86XE6

Background:

Carboxypeptidase D, also known as Metallocarboxypeptidase D or gp180, plays a crucial role in protein processing pathways. This enzyme is involved in the cleavage of C-terminal amino acids, facilitating various biological processes. Its presence and activity are essential for maintaining cellular functions and homeostasis.

Therapeutic significance:

Understanding the role of Carboxypeptidase D could open doors to potential therapeutic strategies. Its pivotal function in protein metabolism suggests that modulating its activity could offer new avenues for treating diseases where protein processing is disrupted.

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