Focused On-demand Library for Uridine 5'-monophosphate synthase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

P11172

UPID:

UMPS_HUMAN

Alternative names:

Alternative UPACC:

P11172; B5LY68; B5LY72; O00758; O00759; O00760; Q16862; Q9H3Q2; Q9UG49

Background:

Uridine 5'-monophosphate synthase plays a pivotal role in the de novo synthesis of pyrimidine nucleotides, catalyzing the conversion of orotate to orotidine-5'-monophosphate and its subsequent decarboxylation to uridine monophosphate. This bifunctional enzyme's activity is crucial for the production of pyrimidine nucleotides, essential components of RNA and DNA.

Therapeutic significance:

Orotic aciduria 1, a metabolic disorder resulting from mutations affecting this enzyme, underscores its clinical importance. Characterized by megaloblastic anemia, orotic acid crystalluria, and potential intellectual disability, the disease highlights the enzyme's therapeutic potential. Targeting its function could lead to innovative treatments for this disorder and related pyrimidine metabolism abnormalities.