Focused On-demand Library for Protein-lysine methyltransferase METTL21C

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Q5VZV1

UPID:
MT21C_HUMAN

ALTERNATIVE NAMES:
Methyltransferase-like protein 21C

ALTERNATIVE UPACC:
Q5VZV1

BACKGROUND:
The enzyme Protein-lysine methyltransferase METTL21C, known alternatively as Methyltransferase-like protein 21C, is integral to the methylation of lysine residues on target proteins. This post-translational modification is essential for regulating protein activity, stability, and protein-protein interactions. Despite its significance, the full range of its biological functions and substrates is yet to be discovered, making it a subject of significant scientific interest.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Protein-lysine methyltransferase METTL21C holds promise for uncovering new therapeutic avenues. Given its role in protein modification, strategies to modulate its activity could offer novel treatments for conditions where dysregulation of protein methylation is implicated.

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