Focused On-demand Library for DNA polymerase alpha catalytic subunit

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.