Focused On-demand Libraries - Receptor.AI 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. Reaxense aids in their synthesis and provision.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q9NRE1

UPID:
MMP26_HUMAN

ALTERNATIVE NAMES:
Endometase; Matrilysin-2

ALTERNATIVE UPACC:
Q9NRE1; Q3MJ78; Q9GZS2; Q9NR87

BACKGROUND:
Matrix metalloproteinase-26, known alternatively as Endometase and Matrilysin-2, is implicated in the hydrolysis of key extracellular matrix proteins including collagen type IV and fibronectin. This enzyme's broad substrate specificity and capacity to activate progelatinase B highlight its significant role in extracellular matrix dynamics.

THERAPEUTIC SIGNIFICANCE:
The exploration of Matrix metalloproteinase-26's function offers promising avenues for therapeutic intervention. Given its critical role in extracellular matrix remodeling, targeting this protein could lead to innovative treatments for conditions where matrix composition and integrity are disrupted, thereby advancing regenerative medicine and tissue engineering.

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