Focused On-demand Library for Metal transporter CNNM2

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

Q9H8M5

UPID:

CNNM2_HUMAN

Alternative names:

Ancient conserved domain-containing protein 2; Cyclin-M2

Alternative UPACC:

Q9H8M5; Q5T569; Q5T570; Q8WU59; Q9H952; Q9NRK5; Q9NXT4

Background:

Metal transporter CNNM2, also known as Ancient conserved domain-containing protein 2 or Cyclin-M2, plays a pivotal role in the transport of divalent metal cations, prioritizing magnesium. This protein's ability to regulate magnesium levels is crucial for maintaining cellular functions and overall homeostasis.

Therapeutic significance:

CNNM2's dysfunction is directly linked to Hypomagnesemia 6 and Hypomagnesemia, seizures, and impaired intellectual development 1, diseases characterized by low serum magnesium levels, seizures, and developmental delays. Understanding the role of Metal transporter CNNM2 could open doors to potential therapeutic strategies for these conditions.