Focused On-demand Library for RNA polymerase II subunit A C-terminal domain phosphatase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q9Y5B0

UPID:
CTDP1_HUMAN

ALTERNATIVE NAMES:
TFIIF-associating CTD phosphatase

ALTERNATIVE UPACC:
Q9Y5B0; A8MY97; Q7Z644; Q96BZ1; Q9Y6F5

BACKGROUND:
RNA polymerase II subunit A C-terminal domain phosphatase, known for its association with TFIIF, is integral to transcription and cell cycle progression. By dephosphorylating the heptad repeats in the largest RNA polymerase II subunit, it promotes RNA polymerase II activity and facilitates mitotic exit by acting on substrates like USP44, CDC20, and WEE1.

THERAPEUTIC SIGNIFICANCE:
The protein's critical role in the pathology of Congenital cataracts, facial dysmorphism, and neuropathy highlights its therapeutic potential. Targeting RNA polymerase II subunit A C-terminal domain phosphatase could lead to innovative treatments for this multifaceted developmental disorder, offering hope for affected individuals.

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