AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Serine/threonine-protein kinase PLK3

Available from Reaxense
Predicted by Alphafold

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.

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

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening 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

Reaxense

upacc

Q9H4B4

UPID:

PLK3_HUMAN

Alternative names:

Cytokine-inducible serine/threonine-protein kinase; FGF-inducible kinase; Polo-like kinase 3; Proliferation-related kinase

Alternative UPACC:

Q9H4B4; Q15767; Q5JR99; Q96CV1

Background:

Serine/threonine-protein kinase PLK3, also known as Cytokine-inducible serine/threonine-protein kinase, FGF-inducible kinase, and Proliferation-related kinase, plays a pivotal role in cell cycle regulation, stress response, and Golgi disassembly. It acts by binding and phosphorylating proteins that are already phosphorylated on a specific motif recognized by the POLO box domains. PLK3 is crucial for S phase entry, cytokinesis, and is rapidly activated upon stress stimuli such as ionizing radiation and hypoxia.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase PLK3 could open doors to potential therapeutic strategies.

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