Focused On-demand Library for Ribonucleoside-diphosphate reductase large subunit

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop 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.

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

P23921

UPID:

RIR1_HUMAN

Alternative names:

Ribonucleoside-diphosphate reductase subunit M1; Ribonucleotide reductase large subunit

Alternative UPACC:

P23921; Q9UNN2

Background:

The Ribonucleoside-diphosphate reductase large subunit, also known as Ribonucleotide reductase large subunit, plays a pivotal role in DNA synthesis. It catalyzes the conversion of ribonucleotides into deoxyribonucleotides, the building blocks necessary for DNA replication and repair. This enzyme's activity is crucial for cellular proliferation and viability.

Therapeutic significance:

Understanding the role of Ribonucleoside-diphosphate reductase large subunit could open doors to potential therapeutic strategies. Its critical function in DNA synthesis makes it a potential target for developing novel cancer treatments, as inhibiting its activity could selectively impair the proliferation of cancer cells.