Focused On-demand Library for Serine/threonine-protein kinase 3

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q13188

UPID:
STK3_HUMAN

ALTERNATIVE NAMES:
Mammalian STE20-like protein kinase 2; STE20-like kinase MST2; Serine/threonine-protein kinase Krs-1

ALTERNATIVE UPACC:
Q13188; A8K722; B3KYA7; Q15445; Q15801; Q96FM6

BACKGROUND:
The protein Serine/threonine-protein kinase 3, with alternative names such as STE20-like kinase MST2, is a key component of the Hippo signaling pathway, crucial for organ size control and tumor suppression. It restricts proliferation and promotes apoptosis by phosphorylating and activating various proteins, including LATS1/2, YAP1, and RAF1. Its role in stress response, apoptosis, and cell cycle regulation highlights its importance in maintaining cellular integrity and function.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Serine/threonine-protein kinase 3 offers a promising avenue for developing novel therapeutic interventions.

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.


Page 8311 of 8789