Focused On-demand Library for DNA polymerase delta catalytic subunit

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.

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 top-notch dedicated system is used to design specialised 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

P28340

UPID:

DPOD1_HUMAN

Alternative names:

3'-5' exodeoxyribonuclease; DNA polymerase subunit delta p125

Alternative UPACC:

P28340; Q8NER3; Q96H98

Background:

DNA polymerase delta catalytic subunit, also known as P28340, plays a pivotal role in high fidelity genome replication and repair, including lagging strand synthesis. It exhibits DNA polymerase and 3'- to 5'-exonuclease activities, crucial for maintaining genomic integrity. The protein operates in trimeric (Pol-delta3) and tetrameric (Pol-delta4) complexes, with its activity modulated by accessory proteins POLD2, POLD3, and POLD4.

Therapeutic significance:

The protein's involvement in Colorectal cancer 10 and Mandibular hypoplasia, deafness, progeroid features, and lipodystrophy syndrome highlights its therapeutic significance. Understanding the role of DNA polymerase delta catalytic subunit could open doors to potential therapeutic strategies for these conditions, emphasizing the importance of targeted research in uncovering novel treatment avenues.