Focused On-demand Library for Phosphatidylinositol 4-kinase beta

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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 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.

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

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.