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

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.

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 top-notch dedicated system is used to design specialised 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.

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

Q8WU08

UPID:

ST32A_HUMAN

Alternative names:

Yet another novel kinase 1

Alternative UPACC:

Q8WU08; B3KSY0

Background:

Serine/threonine-protein kinase 32A, also known as Yet another novel kinase 1, plays a crucial role in cellular signaling pathways. This kinase is involved in the phosphorylation of serine and threonine amino acid residues, a key process in the activation and inactivation of enzymes and receptors. Its specific functions and interactions within the cell remain to be fully elucidated, making it a subject of significant scientific interest.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase 32A could open doors to potential therapeutic strategies. Its involvement in phosphorylation processes suggests a critical function in cellular regulation and disease mechanisms, highlighting its potential as a target for drug discovery.