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.


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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


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
Receptor.AI
 
UPACC
O00444

UPID:
PLK4_HUMAN

ALTERNATIVE NAMES:
Polo-like kinase 4; Serine/threonine-protein kinase 18; Serine/threonine-protein kinase Sak

ALTERNATIVE UPACC:
O00444; B2RAL0; B7Z837; B7Z8G7; Q8IYF0; Q96Q95; Q9UD84; Q9UDE2

BACKGROUND:
The Serine/threonine-protein kinase PLK4, known for its alternative names Serine/threonine-protein kinase 18 and Sak, is integral to centriole replication and cell cycle regulation. It phosphorylates several key proteins, facilitating centriole duplication and cell division. Abnormalities in PLK4 function are associated with microcephaly and chorioretinopathy, highlighting its importance in cellular structure and function.

THERAPEUTIC SIGNIFICANCE:
The association of PLK4 with microcephaly and chorioretinopathy underscores its potential as a therapeutic target. Exploring PLK4's mechanisms further could lead to breakthroughs in treating diseases linked to centriole duplication errors.

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