Focused On-demand Library for Cellular communication network factor 6

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.

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.

We use our state-of-the-art dedicated workflow for designing 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

O95389

UPID:

CCN6_HUMAN

Alternative names:

CCN family member 6; WNT1-inducible-signaling pathway protein 3

Alternative UPACC:

O95389; Q3KR29; Q5H8W4; Q6UXH6

Background:

Cellular communication network factor 6, also known as CCN family member 6 or WNT1-inducible-signaling pathway protein 3, plays a crucial role in mitochondrial electron transport and respiration. Its regulation of mitochondrial function is essential for postnatal skeletal growth and cartilage homeostasis, as evidenced by research findings (PubMed:27252383, PubMed:10471507).

Therapeutic significance:

The protein is implicated in Progressive pseudorheumatoid dysplasia, a disorder marked by joint stiffness, swelling, motor weakness, and contractures. This disease highlights the protein's vital role in cartilage and bone integrity, suggesting that targeting CCN family member 6 could offer new avenues for therapeutic intervention.