Focused On-demand Library for STE20-related kinase adapter protein alpha

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.

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.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q7RTN6

UPID:

STRAA_HUMAN

Alternative names:

STE20-related adapter protein; Serologically defined breast cancer antigen NY-BR-96

Alternative UPACC:

Q7RTN6; B4DDE3; B4DW17; J3KTC9; Q5JPI2; Q7Z4K9; Q8NC31; Q8NCF1; Q9H272

Background:

The STE20-related kinase adapter protein alpha, also known as Serologically defined breast cancer antigen NY-BR-96, plays a pivotal role in cellular processes. It functions as a pseudokinase in complex with CAB39/MO25, activating STK11/LKB1 through a unique mechanism of adopting a closed conformation typical of active protein kinases and binding STK11/LKB1 as a pseudosubstrate. This promotes a conformational change in STK11/LKB1 to an active state, crucial for cellular signaling pathways.

Therapeutic significance:

Understanding the role of STE20-related kinase adapter protein alpha could open doors to potential therapeutic strategies.