AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Histone-arginine methyltransferase CARM1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

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

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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q86X55

UPID:

CARM1_HUMAN

Alternative names:

Coactivator-associated arginine methyltransferase 1; Protein arginine N-methyltransferase 4

Alternative UPACC:

Q86X55; A6NN38

Background:

Histone-arginine methyltransferase CARM1, also known as Coactivator-associated arginine methyltransferase 1 and Protein arginine N-methyltransferase 4, plays a pivotal role in DNA packaging, transcription regulation, pre-mRNA splicing, and mRNA stability. It methylates arginyl residues in proteins, influencing histone modification and transcription activation. CARM1 is involved in various cellular processes, including hormone receptor activation, myogenic transcriptional activation, inflammatory response, adipocyte differentiation, and fatty acid synthesis.

Therapeutic significance:

Understanding the role of Histone-arginine methyltransferase CARM1 could open doors to potential therapeutic strategies.

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