Focused On-demand Library for DNA-directed RNA polymerase I subunit RPA2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q9H9Y6

UPID:

RPA2_HUMAN

Alternative names:

DNA-directed RNA polymerase I 135 kDa polypeptide

Alternative UPACC:

Q9H9Y6; B7Z6Y7; B7Z823; F5GZX4; F8W898; Q2TAM4; Q585T5; Q6ZRR2; Q9H9D3

Background:

DNA-directed RNA polymerase I subunit RPA2, also known as the 135 kDa polypeptide, plays a pivotal role in the transcription of DNA into RNA, utilizing ribonucleoside triphosphates as substrates. It is a core component of RNA polymerase I, essential for synthesizing ribosomal RNA precursors, and contributes significantly to the polymerase's catalytic activity.

Therapeutic significance:

Given its crucial role in RNA synthesis, RPA2's dysfunction is linked to Treacher Collins syndrome 4, a craniofacial development disorder. Understanding the role of DNA-directed RNA polymerase I subunit RPA2 could open doors to potential therapeutic strategies for this syndrome.