Focused On-demand Library for Ribonuclease H1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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 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

O60930

UPID:

RNH1_HUMAN

Alternative names:

Ribonuclease H type II

Alternative UPACC:

O60930; B3KQU4; O60523; O60857; Q57Z93; Q5U0C1; Q6FHD4

Background:

Ribonuclease H1, also known as Ribonuclease H type II, plays a pivotal role in cellular mechanisms by specifically degrading the RNA of RNA-DNA hybrids. Its activity is crucial for maintaining genomic stability by facilitating RNA polymerase II transcription termination and preventing R-loop RNA-DNA hybrid formation, which can occur at G-rich pause sites downstream of the poly(A) site.

Therapeutic significance:

The protein is linked to Progressive external ophthalmoplegia with mitochondrial DNA deletions, autosomal recessive 2, a condition characterized by muscle weakness, exercise intolerance, and signs of spinocerebellar ataxia. Understanding the role of Ribonuclease H1 could open doors to potential therapeutic strategies for this and related mitochondrial myopathies.