AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cytosolic carboxypeptidase 6

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

We employ our advanced, specialised process to create targeted 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.

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

Reaxense

upacc

Q5VU57

UPID:

CBPC6_HUMAN

Alternative names:

ATP/GTP-binding protein-like 4; Protein deglutamylase CCP6

Alternative UPACC:

Q5VU57; B3KT26; B4DG37

Background:

Cytosolic carboxypeptidase 6 (CCP6), also known as ATP/GTP-binding protein-like 4, plays a crucial role in protein deglutamylation, specifically targeting tubulin and non-tubulin proteins. It facilitates the removal of polyglutamate chains from the C-terminal tail of tubulin, enhancing tubulin's functionality. Additionally, CCP6 is involved in the deglutamylation of various non-tubulin proteins, such as MYLK and CGAS, the latter leading to the activation of antiviral defense responses. Its activity also influences KLF4, affecting cell pluripotency and embryogenesis.

Therapeutic significance:

Understanding the role of Cytosolic carboxypeptidase 6 could open doors to potential therapeutic strategies, particularly in the context of antiviral defenses and the regulation of cell pluripotency. Its unique enzymatic activity presents a novel target for modulating cellular processes critical in disease and development.

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