Focused On-demand Library for Cytosolic carboxypeptidase 2

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q5U5Z8

UPID:

CBPC2_HUMAN

Alternative names:

ATP/GTP-binding protein-like 2; Protein deglutamylase CCP2

Alternative UPACC:

Q5U5Z8; A8MPX2; Q53FV5; Q8IV57; Q9H5C0

Background:

Cytosolic carboxypeptidase 2 (CCP2), also known as ATP/GTP-binding protein-like 2 and Protein deglutamylase CCP2, plays a crucial role in cellular processes through its function as a metallocarboxypeptidase. It is instrumental in the deglutamylation of tubulin and various non-tubulin proteins, facilitating the removal of polyglutamate side chains from the gamma-carboxyl group of glutamate residues. This activity is pivotal in the regulation of the C-terminal tail of tubulin protein, specifically targeting long-side-chains while sparing the branching point glutamate. Beyond tubulin, CCP2 also modifies non-tubulin proteins such as MYLK by excising polyglutamate residues from their carboxy-termini.

Therapeutic significance:

Understanding the role of Cytosolic carboxypeptidase 2 could open doors to potential therapeutic strategies.