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

Focused On-demand Libraries - Reaxense 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 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 top-notch dedicated system is used to design specialised 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9Y5B0

UPID:

CTDP1_HUMAN

Alternative names:

TFIIF-associating CTD phosphatase

Alternative UPACC:

Q9Y5B0; A8MY97; Q7Z644; Q96BZ1; Q9Y6F5

Background:

The RNA polymerase II subunit A C-terminal domain phosphatase, also known as TFIIF-associating CTD phosphatase, plays a pivotal role in gene expression. It processively dephosphorylates 'Ser-2' and 'Ser-5' in the C-terminal domain of RNA polymerase II, enhancing its activity. This protein is also crucial for the exit from mitosis, targeting key mitotic substrates for dephosphorylation.

Therapeutic significance:

Given its involvement in Congenital cataracts, facial dysmorphism, and neuropathy, understanding the role of RNA polymerase II subunit A C-terminal domain phosphatase could open doors to potential therapeutic strategies. Its function in gene expression and cell cycle regulation makes it a promising target for addressing the complex clinical phenotype of this disorder.