Focused On-demand Library for Histone-arginine methyltransferase METTL23

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.

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages 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.