Focused On-demand Library for Ribulose-phosphate 3-epimerase

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.

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.

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 top-notch dedicated system is used to design specialised 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

Q96AT9

UPID:

RPE_HUMAN

Alternative names:

Ribulose-5-phosphate-3-epimerase

Alternative UPACC:

Q96AT9; A8K4S0; B4E016; C9JPQ7; O43767; Q53TV9; Q8N215; Q96N34; Q9BSB5

Background:

Ribulose-phosphate 3-epimerase, also known as Ribulose-5-phosphate-3-epimerase, plays a crucial role in the pentose phosphate pathway by catalyzing the reversible epimerization of D-ribulose 5-phosphate to D-xylulose 5-phosphate. This enzyme is essential for the production of ribose 5-phosphate, a precursor for the synthesis of nucleotides and nucleic acids.

Therapeutic significance:

Understanding the role of Ribulose-phosphate 3-epimerase could open doors to potential therapeutic strategies. Its pivotal function in nucleotide synthesis suggests its importance in cellular growth and proliferation, highlighting its potential as a target in diseases characterized by uncontrolled cell division.