Focused On-demand Library for Histone-arginine methyltransferase METTL23

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.

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.

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

Q86XA0

UPID:

MET23_HUMAN

Alternative names:

Methyltransferase-like protein 23

Alternative UPACC:

Q86XA0; H9ZYJ0; K7EK32

Background:

Histone-arginine methyltransferase METTL23, also known as Methyltransferase-like protein 23, plays a pivotal role in epigenetic regulation. It specifically dimethylates histone H3 at 'Arg-17', leading to transcription activation through chromatin remodeling. This protein is also crucial in epigenetic chromatin reprogramming of the paternal genome in zygotes, facilitating DNA demethylation.

Therapeutic significance:

METTL23's involvement in Intellectual developmental disorder, autosomal recessive 44, underscores its potential as a therapeutic target. Understanding the role of Histone-arginine methyltransferase METTL23 could open doors to potential therapeutic strategies.