AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein arginine N-methyltransferase 6

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, 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.

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.

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

Q96LA8

UPID:

ANM6_HUMAN

Alternative names:

Heterogeneous nuclear ribonucleoprotein methyltransferase-like protein 6; Histone-arginine N-methyltransferase PRMT6

Alternative UPACC:

Q96LA8; A3KME1; B4DID8; Q5T5Y5; Q6DKI4; Q9NVR8

Background:

Protein arginine N-methyltransferase 6 (PRMT6) is a key enzyme in the methylation of arginine residues, playing a pivotal role in modifying histones and non-histone proteins. This modification influences gene expression, DNA repair, and RNA processing. PRMT6 specifically targets histone H3 'Arg-2', leading to transcriptional repression, and is involved in the methylation of DNA polymerase beta (POLB), enhancing DNA repair processes.

Therapeutic significance:

Understanding the role of Protein arginine N-methyltransferase 6 could open doors to potential therapeutic strategies. Its involvement in transcriptional repression, DNA repair, and RNA processing positions it as a critical target for drug discovery, particularly in diseases where these processes are dysregulated.

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