AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Matrix metalloproteinase-14

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.

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.

Our high-tech, dedicated method is applied to construct targeted 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.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P50281

UPID:

MMP14_HUMAN

Alternative names:

MMP-X1; Membrane-type matrix metalloproteinase 1; Membrane-type-1 matrix metalloproteinase

Alternative UPACC:

P50281; A8K5L0; Q6GSF3; Q92678

Background:

Matrix metalloproteinase-14 (MMP-14), also known as Membrane-type matrix metalloproteinase 1, plays a crucial role in the degradation of extracellular matrix components, including collagen. It is pivotal in skeletal and extraskeletal connective tissue development, facilitating cell growth and migration through the activation of MMP15 and progelatinase A. MMP-14's ability to cleave ADGRB1, releasing vasculostatin-40, underscores its significance in inhibiting angiogenesis.

Therapeutic significance:

MMP-14's involvement in Winchester syndrome, characterized by severe osteolysis and generalized osteoporosis, highlights its therapeutic potential. Understanding MMP-14's role could open doors to innovative treatments for bone-related disorders and angiogenesis inhibition, offering hope for patients with Winchester syndrome and related conditions.

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