Focused On-demand Library for Matrix metalloproteinase-20

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 employ our advanced, specialised process to create targeted 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.

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

O60882

UPID:

MMP20_HUMAN

Alternative names:

Enamel metalloproteinase; Enamelysin

Alternative UPACC:

O60882; Q6DKT9

Background:

Matrix metalloproteinase-20, also known as Enamel metalloproteinase or Enamelysin, plays a pivotal role in dental health. It degrades amelogenin, the primary protein in enamel matrix, and is involved in the breakdown of aggrecan and COMP in cartilage extracellular matrix. Its activity is crucial for proper tooth enamel formation.

Therapeutic significance:

The protein's malfunction is linked to Amelogenesis imperfecta, hypomaturation type, 2A2, a condition affecting enamel formation, leading to softer enamel with a distinctive brown pigment. Understanding the role of Matrix metalloproteinase-20 could open doors to potential therapeutic strategies for dental and cartilage disorders.