AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Lysine-specific demethylase 2B

Available from Reaxense
Predicted by Alphafold

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q8NHM5

UPID:

KDM2B_HUMAN

Alternative names:

CXXC-type zinc finger protein 2; F-box and leucine-rich repeat protein 10; F-box protein FBL10; F-box/LRR-repeat protein 10; JmjC domain-containing histone demethylation protein 1B; Jumonji domain-containing EMSY-interactor methyltransferase motif protein; Protein-containing CXXC domain 2; [Histone-H3]-lysine-36 demethylase 1B

Alternative UPACC:

Q8NHM5; A8MRS1; Q1RLM7; Q8NCI2; Q96HC7; Q96SL0; Q96T03; Q9NS96; Q9UF75

Background:

Lysine-specific demethylase 2B (LSD2B) plays a pivotal role in epigenetic regulation by demethylating 'Lys-4' and 'Lys-36' of histone H3, crucial for histone code dynamics. It exhibits specificity towards trimethylated H3 'Lys-4' and dimethylated H3 'Lys-36', impacting gene expression and chromatin structure. LSD2B's interaction with ribosomal RNA genes represses their transcription, influencing cell growth and proliferation.

Therapeutic significance:

Understanding the role of Lysine-specific demethylase 2B could open doors to potential therapeutic strategies.

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