Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


We utilise our cutting-edge, exclusive workflow to develop 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
Q9UPW5

UPID:
CBPC1_HUMAN

ALTERNATIVE NAMES:
ATP/GTP-binding protein 1; Nervous system nuclear protein induced by axotomy protein 1 homolog; Protein deglutamylase CCP1

ALTERNATIVE UPACC:
Q9UPW5; B4DIT6; B4DRZ8; Q5VV80; Q63HM7; Q658P5; Q6P9D6; Q9H8U6; Q9H9W8; Q9NVK1

BACKGROUND:
The protein Cytosolic carboxypeptidase 1, with aliases such as ATP/GTP-binding protein 1, is pivotal in mediating protein deglutamylation. It acts on tubulin and various non-tubulin proteins, playing a key role in cellular dynamics and embryogenesis by regulating protein degradation and cell pluripotency maintenance.

THERAPEUTIC SIGNIFICANCE:
Given its critical function in the onset of childhood neurodegeneration with cerebellar atrophy, targeting Cytosolic carboxypeptidase 1 offers a promising avenue for therapeutic intervention. Exploring its mechanisms further could unlock new pathways for treating neurodegenerative conditions.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.