Focused On-demand Library for Serine/threonine-protein kinase 32B

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.

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.

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.

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

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NY57

UPID:

ST32B_HUMAN

Alternative names:

Yet another novel kinase 2

Alternative UPACC:

Q9NY57; Q6UXH3; Q8IY14

Background:

Serine/threonine-protein kinase 32B, also known by its alternative name, Yet another novel kinase 2, represents a crucial component in cellular signaling pathways. This protein, encoded by the gene with the UniProt accession number Q9NY57, plays a pivotal role in regulating various cellular processes through its kinase activity, which involves the phosphorylation of serine and threonine residues in target substrates.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase 32B could open doors to potential therapeutic strategies. Its involvement in key signaling pathways suggests that modulating its activity could offer new avenues for the treatment of diseases where these pathways are dysregulated.