Focused On-demand Library for Phospholipase D2

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

O14939

UPID:

PLD2_HUMAN

Alternative names:

Choline phosphatase 2; PLD1C; Phosphatidylcholine-hydrolyzing phospholipase D2

Alternative UPACC:

O14939; I3L2C9; O43540; O43579; O43580; Q6PGR0; Q96BY3

Background:

Phospholipase D2 (PLD2), also known as Choline phosphatase 2 and Phosphatidylcholine-hydrolyzing phospholipase D2, is a crucial enzyme that functions as a phospholipase selective for phosphatidylcholine. Its activity is pivotal in signal-induced cytoskeletal regulation and endocytosis, suggesting a broad role in cellular dynamics and signaling pathways.

Therapeutic significance:

Understanding the role of Phospholipase D2 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes underscores its potential as a target for drug discovery, aiming to modulate its activity in disease contexts.