Focused On-demand Library for Metalloproteinase inhibitor 3

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.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

P35625

UPID:

TIMP3_HUMAN

Alternative names:

Protein MIG-5; Tissue inhibitor of metalloproteinases 3

Alternative UPACC:

P35625; B2RBY9; Q5THV4; Q9UC74; Q9UGS2

Background:

Metalloproteinase inhibitor 3, also known as Tissue inhibitor of metalloproteinases 3 and Protein MIG-5, plays a crucial role in tissue remodeling and repair by inactivating metalloproteinases such as MMP-1, MMP-2, and MMP-9. This action is achieved through binding to their catalytic zinc cofactor, showcasing its significance in maintaining tissue integrity.

Therapeutic significance:

The protein's involvement in Sorsby fundus dystrophy, a rare macular disorder leading to vision loss, underscores its therapeutic potential. Understanding the role of Metalloproteinase inhibitor 3 could open doors to potential therapeutic strategies for treating or managing this debilitating condition.