Focused On-demand Library for Deoxyribonuclease TATDN1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Q6P1N9

UPID:
TATD1_HUMAN

ALTERNATIVE NAMES:
Hepatocarcinoma high expression protein

ALTERNATIVE UPACC:
Q6P1N9; B2R5J0; Q8TD02; Q9BY40

BACKGROUND:
The protein Deoxyribonuclease TATDN1, alternatively named Hepatocarcinoma high expression protein, is instrumental in the decatenation of kinetoplast DNA, producing linear DNA molecules. This function is essential for proper chromosomal segregation and cell cycle progression, particularly in the context of eye development, underscoring its significance in genetic stability and cellular division.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Deoxyribonuclease TATDN1 offers a promising avenue for the development of novel therapeutic approaches. Given its critical role in DNA decatenation and chromosomal segregation, targeting TATDN1 could provide innovative treatments for conditions associated with genetic instability and abnormal cell division.

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