AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 5'-3' exonuclease PLD3

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 high-tech, dedicated method is applied to construct 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.

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

Q8IV08

UPID:

PLD3_HUMAN

Alternative names:

Choline phosphatase 3; HindIII K4L homolog; Hu-K4; Phosphatidylcholine-hydrolyzing phospholipase D3; Phospholipase D3

Alternative UPACC:

Q8IV08; Q92853; Q9BW87

Background:

5'-3' exonuclease PLD3, also known as Phospholipase D3, plays a crucial role in DNA repair by digesting single-stranded DNA. It regulates inflammatory responses and is pivotal in myotube formation, lysosomal homeostasis, and endosomal protein sorting. Its alternative names include Choline phosphatase 3 and Phosphatidylcholine-hydrolyzing phospholipase D3.

Therapeutic significance:

PLD3's involvement in Spinocerebellar ataxia 46 highlights its potential as a therapeutic target. Although evidence is limited, understanding PLD3's role could open doors to novel treatments for neurodegenerative disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.
No Spam. Cancel Anytime.