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 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises 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.