Focused On-demand Library for GMP reductase 1

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

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

P36959

UPID:

GMPR1_HUMAN

Alternative names:

Guanosine 5'-monophosphate oxidoreductase 1

Alternative UPACC:

P36959; Q96HQ6

Background:

GMP reductase 1, also known as Guanosine 5'-monophosphate oxidoreductase 1, plays a crucial role in nucleotide metabolism by catalyzing the NADPH-dependent deamination of GMP to IMP. This enzymatic activity is essential for the conversion of nucleobase, nucleoside, and nucleotide derivatives of guanine to adenine nucleotides, ensuring the maintenance of the intracellular balance of adenine and guanine nucleotides.

Therapeutic significance:

Understanding the role of GMP reductase 1 could open doors to potential therapeutic strategies. Its pivotal function in nucleotide metabolism makes it a potential target for interventions aimed at disorders related to nucleotide imbalance.