Focused On-demand Library for DNA-directed RNA polymerase III subunit RPC2

Focused On-demand Libraries - Reaxense 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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 sreening 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.

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

Reaxense

upacc

Q9NW08

UPID:

RPC2_HUMAN

Alternative names:

C128; DNA-directed RNA polymerase III 127.6 kDa polypeptide; DNA-directed RNA polymerase III subunit B

Alternative UPACC:

Q9NW08; A8K6H0; B3KV73; F5H1E6; Q9NW59

Background:

DNA-directed RNA polymerase III subunit RPC2, also known as C128, plays a pivotal role in the transcription of DNA into RNA, focusing on small RNAs like 5S rRNA and tRNAs. It forms the polymerase active center with the largest subunit, contributing significantly to the catalytic activity of RNA polymerase III. Beyond its primary function, RPC2 is crucial in the innate immune response, acting as a sensor for intracellular bacteria and DNA viruses by detecting non-self dsDNA.

Therapeutic significance:

Given its involvement in Leukodystrophy, hypomyelinating, 8, and Charcot-Marie-Tooth disease, demyelinating, 1I, understanding the role of DNA-directed RNA polymerase III subunit RPC2 could open doors to potential therapeutic strategies. Its function in immune response and transcription regulation highlights its potential as a target for treating these neurodegenerative disorders.