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

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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.

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

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.