Focused On-demand Library for Probable carboxypeptidase X1

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 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 employ our advanced, specialised process to create 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

Q96SM3

UPID:

CPXM1_HUMAN

Alternative names:

Metallocarboxypeptidase CPX-1

Alternative UPACC:

Q96SM3; Q6P4G8; Q6UW65; Q9NUB5

Background:

Probable carboxypeptidase X1, also known as Metallocarboxypeptidase CPX-1, is a protein that may play a crucial role in cell-cell interactions. Despite its name suggesting enzymatic activity, no carboxypeptidase activity has been confirmed for this protein. Its exact functions and mechanisms of action remain to be fully elucidated, making it a subject of significant scientific interest.

Therapeutic significance:

Understanding the role of Probable carboxypeptidase X1 could open doors to potential therapeutic strategies. Its involvement in cell-cell interactions hints at a fundamental biological function that, once understood, could offer insights into novel treatment approaches for various conditions.