Focused On-demand Library for 2',5'-phosphodiesterase 12

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

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

Fig. 1. The sreening 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q6L8Q7

UPID:

PDE12_HUMAN

Alternative names:

Mitochondrial deadenylase

Alternative UPACC:

Q6L8Q7; B4DTU8; Q8IYU3; Q8NDU2; Q8TE78

Background:

2',5'-phosphodiesterase 12, also known as Mitochondrial deadenylase, is an enzyme that plays a crucial role in cellular defense mechanisms. It cleaves the 2',5'-phosphodiester bond in 5'-triphosphorylated oligoadenylates, a key process in the modulation of the 2-5A system. This system is integral to antiviral and antitumor responses triggered by interferons. The enzyme's activity regulates the levels of 2-5A, thereby influencing the cellular response to viral infections.

Therapeutic significance:

Understanding the role of 2',5'-phosphodiesterase 12 could open doors to potential therapeutic strategies. Its involvement in modulating the 2-5A system, a critical pathway for antiviral and antitumor responses, highlights its potential as a target for drug discovery. Enhancing its activity could amplify the body's natural defense mechanisms against viral infections and cancer.