Focused On-demand Library for Collagenase 3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.







Alternative names:

Matrix metalloproteinase-13

Alternative UPACC:

P45452; A8K846; B2RCZ3; Q6NWN6


Collagenase 3, also known as Matrix metalloproteinase-13 (MMP-13), plays a pivotal role in the degradation of extracellular matrix proteins, including collagen types I, II, III, IV, XIV, and X, fibronectin, TNC, and ACAN. Its highest activity is observed with soluble type II collagen. MMP-13 is crucial for normal embryonic bone development, ossification, wound healing, tissue remodeling, cartilage degradation, bone mineralization, and in the healing of bone fractures via endochondral ossification.

Therapeutic significance:

MMP-13's involvement in diseases such as Spondyloepimetaphyseal dysplasia, Missouri type, Metaphyseal anadysplasia 1, and Metaphyseal dysplasia, Spahr type, underscores its therapeutic significance. Targeting MMP-13 could lead to novel treatments for these bone development disorders, offering hope for patients suffering from these conditions.

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