Focused On-demand Library for DNA-directed RNA polymerases I, II, and III subunit RPABC1

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.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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

P19388

UPID:

RPAB1_HUMAN

Alternative names:

DNA-directed RNA polymerase II 23 kDa polypeptide; DNA-directed RNA polymerase II subunit E; RPB5 homolog; XAP4

Alternative UPACC:

P19388; B2R6L4; D6W5Y1; O43380; Q6PIH5; Q9BT06

Background:

DNA-directed RNA polymerases I, II, and III subunit RPABC1, also known as DNA-directed RNA polymerase II 23 kDa polypeptide, plays a pivotal role in the transcription of DNA into RNA, utilizing ribonucleoside triphosphates. It is a key component of RNA polymerases I, II, and III, involved in synthesizing ribosomal RNA precursors, mRNA precursors, and various functional non-coding RNAs. Its unique structure, featuring mobile elements, allows for efficient interaction with DNA templates.

Therapeutic significance:

Understanding the role of DNA-directed RNA polymerases I, II, and III subunit RPABC1 could open doors to potential therapeutic strategies. Its central role in transcription suggests that modulating its activity could influence gene expression patterns involved in various diseases.