AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Phosphatidylinositol 3-kinase catalytic subunit type 3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised 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.

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

Reaxense

upacc

Q8NEB9

UPID:

PK3C3_HUMAN

Alternative names:

Phosphatidylinositol 3-kinase p100 subunit; Phosphoinositide-3-kinase class 3; hVps34

Alternative UPACC:

Q8NEB9; Q15134

Background:

Phosphatidylinositol 3-kinase catalytic subunit type 3 (PI3KC3), also known as hVps34, plays a pivotal role in cellular processes such as autophagy, endocytosis, and cytokinesis. It is a catalytic subunit of the PI3K complex, crucial for the formation of phosphatidylinositol 3-phosphate. PI3KC3 is involved in various membrane trafficking pathways, including the initiation of autophagosomes with PI3KC3-C1 and the maturation of autophagosomes and endocytosis as part of PI3KC3-C2.

Therapeutic significance:

Understanding the role of Phosphatidylinositol 3-kinase catalytic subunit type 3 could open doors to potential therapeutic strategies.

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