AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Matrix metalloproteinase-26

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9NRE1

UPID:

MMP26_HUMAN

Alternative names:

Endometase; Matrilysin-2

Alternative UPACC:

Q9NRE1; Q3MJ78; Q9GZS2; Q9NR87

Background:

Matrix metalloproteinase-26, also known as Endometase and Matrilysin-2, plays a crucial role in the degradation of extracellular matrix components such as collagen type IV, fibronectin, and fibrinogen. Its ability to hydrolyze a wide range of substrates and activate progelatinase B underscores its versatility in tissue remodeling processes.

Therapeutic significance:

Understanding the role of Matrix metalloproteinase-26 could open doors to potential therapeutic strategies. Its involvement in the breakdown and remodeling of the extracellular matrix suggests a pivotal role in tissue repair and regeneration, making it a target of interest in the development of treatments for diseases characterized by excessive matrix degradation or accumulation.

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