Focused On-demand Library for DNA polymerase delta catalytic subunit

Details

Focused On-demand Libraries - Receptor.AI 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.


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 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.


We employ our advanced, specialised process to create targeted 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.


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
Receptor.AI
 
UPACC
P28340

UPID:
DPOD1_HUMAN

ALTERNATIVE NAMES:
3'-5' exodeoxyribonuclease; DNA polymerase subunit delta p125

ALTERNATIVE UPACC:
P28340; Q8NER3; Q96H98

BACKGROUND:
The DNA polymerase delta catalytic subunit, with alternative names such as 3'-5' exodeoxyribonuclease, is integral to DNA replication and repair processes. It forms part of the Pol-delta3 and Pol-delta4 complexes, exhibiting significant differences in catalytic activity and proofreading functions. This protein's ability to process Okazaki fragments and participate in nucleotide excision repair synthesis post-UV irradiation underscores its critical role in genome stability.

THERAPEUTIC SIGNIFICANCE:
Given its crucial role in diseases like Colorectal cancer 10 and Mandibular hypoplasia syndrome, the DNA polymerase delta catalytic subunit represents a promising target for drug discovery. Its involvement in key cellular processes offers a unique opportunity to develop innovative therapeutic strategies that could significantly impact patient care in these diseases.

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