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

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.

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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.