Focused On-demand Library for DNA-directed RNA polymerase I subunit RPA49

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q9GZS1

UPID:

RPA49_HUMAN

Alternative names:

DNA-directed RNA polymerase I subunit E; RNA polymerase I-associated factor 1; RNA polymerase I-associated factor 53

Alternative UPACC:

Q9GZS1; Q5VZT3; Q8NBA9; Q96L20

Background:

DNA-directed RNA polymerase I subunit RPA49, also known as DNA-directed RNA polymerase I subunit E, RNA polymerase I-associated factor 1, and RNA polymerase I-associated factor 53, plays a pivotal role in the transcription of DNA into RNA. It catalyzes this process using ribonucleoside triphosphates as substrates and is a crucial component of RNA polymerase I, which synthesizes ribosomal RNA precursors. This protein is instrumental in forming the initiation complex at the promoter, facilitating the interaction between Pol I and UBTF/UBF.

Therapeutic significance:

Understanding the role of DNA-directed RNA polymerase I subunit RPA49 could open doors to potential therapeutic strategies.