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

Focused On-demand Libraries - Reaxense 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.

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

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:

Lysine-specific demethylase 5B, known as Histone demethylase JARID1B, plays a pivotal role in histone code by demethylating 'Lys-4' of histone H3. It does not affect H3 'Lys-9' or 'Lys-27', focusing on H3 'Lys-4' in various methylation states. This protein acts as a transcriptional corepressor for FOXG1B and PAX9, influencing gene expression. Additionally, it has a dual role in cancer, promoting breast cancer cell proliferation while potentially suppressing melanoma.

Therapeutic significance:

Given its involvement in Intellectual developmental disorder, autosomal recessive 65, and its dual role in cancer biology, targeting Lysine-specific demethylase 5B offers a promising avenue for therapeutic intervention. Understanding its function could lead to novel strategies for treating intellectual disabilities and cancer.