Focused On-demand Library for Matrix metalloproteinase-25

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

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

Q9NPA2

UPID:

MMP25_HUMAN

Alternative names:

Leukolysin; Membrane-type matrix metalloproteinase 6; Membrane-type-6 matrix metalloproteinase

Alternative UPACC:

Q9NPA2; D3DUA8; Q9H3Q0

Background:

Matrix metalloproteinase-25, also known as Leukolysin, Membrane-type matrix metalloproteinase 6, and Membrane-type-6 matrix metalloproteinase, plays a crucial role in the activation of progelatinase A. Its unique enzymatic activity is pivotal in the breakdown of the extracellular matrix, a fundamental process in cellular proliferation, migration, differentiation, and remodeling.

Therapeutic significance:

Understanding the role of Matrix metalloproteinase-25 could open doors to potential therapeutic strategies. Its involvement in the regulation of the extracellular matrix presents a promising target for the development of novel treatments aimed at controlling tissue remodeling and disease progression.