Focused On-demand Library for Lysine-specific demethylase 5B

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q9UGL1

UPID:
KDM5B_HUMAN

ALTERNATIVE NAMES:
Cancer/testis antigen 31; Histone demethylase JARID1B; Jumonji/ARID domain-containing protein 1B; PLU-1; Retinoblastoma-binding protein 2 homolog 1; [histone H3]-trimethyl-L-lysine(4) demethylase 5B

ALTERNATIVE UPACC:
Q9UGL1; O95811; Q15752; Q9Y3Q5

BACKGROUND:
The protein Lysine-specific demethylase 5B, also recognized as JARID1B, is crucial for removing methyl groups from 'Lys-4' on histone H3, impacting gene regulation. It selectively demethylates H3 'Lys-4' without affecting other lysine residues. JARID1B serves as a corepressor for specific genes and promotes the proliferation of breast cancer cells, yet may inhibit melanoma progression. Its activity is essential for the regulation of gene expression and cellular differentiation.

THERAPEUTIC SIGNIFICANCE:
Lysine-specific demethylase 5B's role in Intellectual developmental disorder, autosomal recessive 65, highlights its potential as a target for therapeutic development. Exploring the mechanisms by which this protein influences disease could unlock new pathways for treatment, particularly in the realms of intellectual disability and oncology.

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