Focused On-demand Library for DNA polymerase alpha 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.

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.

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 use our state-of-the-art dedicated workflow for designing focused 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

P09884

UPID:

DPOLA_HUMAN

Alternative names:

DNA polymerase alpha catalytic subunit p180

Alternative UPACC:

P09884; Q86UQ7

Background:

DNA polymerase alpha catalytic subunit, also known as p180, is pivotal in DNA synthesis initiation. It forms part of the alpha DNA polymerase-primase complex, essential during the S phase for DNA replication. This complex, through interactions with MCM10 and WDHD1, lays down RNA primers for DNA extension, a process crucial for genome duplication.

Therapeutic significance:

The protein's malfunction is linked to Pigmentary disorder, reticulate, with systemic manifestations, X-linked, and Van Esch-O'Driscoll syndrome, highlighting its therapeutic potential. Understanding the role of DNA polymerase alpha catalytic subunit could open doors to potential therapeutic strategies.