Focused On-demand Library for A disintegrin and metalloproteinase with thrombospondin motifs 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

Q9UKP5

UPID:

ATS6_HUMAN

Alternative names:

Alternative UPACC:

Q9UKP5; Q59EX6; Q5IR87; Q5IR88; Q5IR89; Q68DL1

Background:

A disintegrin and metalloproteinase with thrombospondin motifs 6 (ADAMTS6) plays a crucial role in modulating cell-matrix interactions, a fundamental process in cellular signaling, migration, and tissue remodeling. Its unique structure, characterized by the presence of disintegrin and metalloproteinase domains alongside thrombospondin motifs, positions it as a key player in extracellular matrix (ECM) dynamics.

Therapeutic significance:

Understanding the role of A disintegrin and metalloproteinase with thrombospondin motifs 6 could open doors to potential therapeutic strategies. Its involvement in ECM remodeling suggests its potential impact on diseases characterized by abnormal ECM accumulation or degradation, such as fibrosis and certain cancers.