Focused On-demand Library for Metalloproteinase inhibitor 4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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 use our state-of-the-art dedicated workflow for designing 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.

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

Q99727

UPID:

TIMP4_HUMAN

Alternative names:

Tissue inhibitor of metalloproteinases 4

Alternative UPACC:

Q99727; B2R7K6

Background:

Metalloproteinase inhibitor 4, also known as Tissue inhibitor of metalloproteinases 4, plays a crucial role in the regulation of extracellular matrix composition by irreversibly inactivating metalloproteinases such as MMP-1, MMP-2, MMP-3, MMP-7, and MMP-9. This action is achieved through binding to their catalytic zinc cofactor, effectively halting their enzymatic activity.

Therapeutic significance:

Understanding the role of Metalloproteinase inhibitor 4 could open doors to potential therapeutic strategies. Its ability to regulate key enzymes involved in tissue remodeling and degradation positions it as a significant target for the development of treatments for diseases characterized by excessive extracellular matrix breakdown.