AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Phosphatidylinositol 4-kinase beta

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 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.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9UBF8

UPID:

PI4KB_HUMAN

Alternative names:

NPIK; PI4K92; PI4KIII

Alternative UPACC:

Q9UBF8; B4DGI2; O15096; P78405; Q5VWB9; Q5VWC0; Q5VWC1; Q9BWR6

Background:

Phosphatidylinositol 4-kinase beta (PI4KIII), also known as NPIK and PI4K92, plays a pivotal role in cell signaling by phosphorylating phosphatidylinositol. This action is the first step in generating inositol-1,4,5-trisphosphate, a crucial second messenger. PI4KIII is involved in various cellular processes, including Golgi disintegration/reorganization during mitosis and Golgi-to-plasma membrane trafficking. Its role extends to inner ear development and is implicated in viral infections, aiding Aichi virus RNA replication and facilitating SARS-CoV entry into cells.

Therapeutic significance:

Given its involvement in autosomal dominant deafness 87 (DFNA87), characterized by profound sensorineural hearing loss, PI4KIII presents a target for therapeutic intervention. Understanding the role of PI4KIII could open doors to potential therapeutic strategies, especially in treating sensorineural hearing loss and combating viral infections.

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