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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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.


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
Q8TAS1

UPID:
UHMK1_HUMAN

ALTERNATIVE NAMES:
Kinase interacting with stathmin; PAM COOH-terminal interactor protein 2; U2AF homology motif kinase 1

ALTERNATIVE UPACC:
Q8TAS1; A0A0A6YYC2; A8K8K4; G3V1M1; Q96C22

BACKGROUND:
The Serine/threonine-protein kinase Kist, recognized by its alternative names such as Kinase interacting with stathmin and U2AF homology motif kinase 1, is integral to controlling cell cycle progression in the G1 phase through the phosphorylation of CDKN1B/p27Kip1. This kinase's activity is essential for the proper subcellular localization of CDKN1B, and it is suggested to have roles in RNA trafficking and processing, indicating its broad biological significance.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Serine/threonine-protein kinase Kist unveils potential pathways for therapeutic intervention. Given its critical involvement in cell cycle regulation and possible RNA processing roles, targeting this kinase could lead to innovative treatments, marking a significant step forward in drug discovery.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.