Focused On-demand Library for DNA polymerase epsilon catalytic subunit A

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q07864

UPID:

DPOE1_HUMAN

Alternative names:

3'-5' exodeoxyribonuclease; DNA polymerase II subunit A

Alternative UPACC:

Q07864; Q13533; Q86VH9

Background:

DNA polymerase epsilon catalytic subunit A, also known as 3'-5' exodeoxyribonuclease, plays a pivotal role in chromosomal DNA replication. It is a key component of the DNA polymerase epsilon complex, essential for the synthesis of leading DNA strands at the replication fork. This protein not only binds at or near replication origins but also travels with the replication fork, ensuring high fidelity of DNA replication through its 3'-5' proofreading exonuclease activity. Additionally, it participates in DNA repair processes, including DNA synthesis during DNA repair and excision repair synthesis following UV irradiation.

Therapeutic significance:

Given its crucial role in DNA replication and repair, DNA polymerase epsilon catalytic subunit A is directly linked to diseases such as Colorectal cancer 12, characterized by a predisposition to colorectal adenomas and carcinomas. Understanding the role of DNA polymerase epsilon catalytic subunit A could open doors to potential therapeutic strategies, especially in targeting genetic alterations associated with cancer progression.