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

Details

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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 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
Receptor.AI
 
UPACC
Q07864

UPID:
DPOE1_HUMAN

ALTERNATIVE NAMES:
3'-5' exodeoxyribonuclease; DNA polymerase II subunit A

ALTERNATIVE UPACC:
Q07864; Q13533; Q86VH9

BACKGROUND:
The DNA polymerase epsilon catalytic subunit A, alternatively known as DNA polymerase II subunit A, is integral to chromosomal DNA replication. It ensures the accuracy of DNA replication through its 3'-5' proofreading exonuclease activity and is involved in the synthesis of leading DNA strands. This protein's function extends to DNA repair, participating in DNA synthesis during repair and excision repair synthesis post-UV irradiation, highlighting its versatility in maintaining genomic integrity.

THERAPEUTIC SIGNIFICANCE:
The association of DNA polymerase epsilon catalytic subunit A with diseases such as Colorectal cancer 12 underscores its potential as a target for therapeutic intervention. The protein's involvement in genetic predispositions to colorectal adenomas and carcinomas presents an opportunity for developing targeted therapies aimed at mitigating cancer progression through modulation of DNA replication and repair mechanisms.

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