Focused On-demand Library for Tyrosine-protein kinase Mer

Details

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 screening 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q12866

UPID:
MERTK_HUMAN

ALTERNATIVE NAMES:
Proto-oncogene c-Mer; Receptor tyrosine kinase MerTK

ALTERNATIVE UPACC:
Q12866; Q9HBB4

BACKGROUND:
The Tyrosine-protein kinase Mer, known alternatively as Proto-oncogene c-Mer and Receptor tyrosine kinase MerTK, is integral to signal transduction from the extracellular matrix into the cytoplasm, affecting cell survival, migration, and differentiation. It is essential for macrophage clearance of apoptotic cells, platelet aggregation, and cytoskeleton reorganization. Activation by ligands leads to autophosphorylation of MerTK, facilitating downstream signaling pathways crucial for physiological and immune responses.

THERAPEUTIC SIGNIFICANCE:
Tyrosine-protein kinase Mer's role in Retinitis pigmentosa 38, characterized by progressive vision loss due to retinal degeneration, underscores the importance of this protein in disease mechanisms. Exploring MerTK's functions and pathways offers promising avenues for developing targeted therapies, potentially transforming treatment paradigms for patients with pigmentary retinopathies.

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