Focused On-demand Library for Ribose-5-phosphate isomerase

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.

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

P49247

UPID:

RPIA_HUMAN

Alternative names:

Phosphoriboisomerase

Alternative UPACC:

P49247; Q541P9; Q96BJ6

Background:

Ribose-5-phosphate isomerase, also known as Phosphoriboisomerase, plays a crucial role in cellular metabolism. It catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate, a key step in the non-oxidative branch of the pentose phosphate pathway. This pathway is vital for the production of nucleotides and nucleic acids, underscoring the enzyme's importance in cellular function.

Therapeutic significance:

The enzyme's dysfunction is linked to Ribose 5-phosphate isomerase deficiency, a rare metabolic disorder characterized by leukoencephalopathy, psychomotor retardation, and sensorimotor neuropathy. Understanding the role of Ribose-5-phosphate isomerase could open doors to potential therapeutic strategies for this condition.