Focused On-demand Library for DNA-directed RNA polymerase I subunit RPA1

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

O95602

UPID:

RPA1_HUMAN

Alternative names:

A190; DNA-directed RNA polymerase I largest subunit; DNA-directed RNA polymerase I subunit A; RNA polymerase I 194 kDa subunit

Alternative UPACC:

O95602; B7Z7T0; D6W5M0; Q0VG05; Q9UEH0; Q9UFT9

Background:

DNA-directed RNA polymerase I subunit RPA1, also known as A190, plays a pivotal role in the transcription of DNA into RNA, utilizing ribonucleoside triphosphates as substrates. It is the largest and catalytic core component of RNA polymerase I, primarily responsible for synthesizing ribosomal RNA precursors. This protein, together with the second largest subunit, forms the polymerase active center, crucial for the transcription process.

Therapeutic significance:

RPA1's involvement in Acrofacial dysostosis, Cincinnati type, a disorder affecting craniofacial and limb development, underscores its potential as a therapeutic target. Understanding the role of DNA-directed RNA polymerase I subunit RPA1 could open doors to potential therapeutic strategies.