Focused On-demand Library for Cytosolic purine 5'-nucleotidase

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.

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.

We employ our advanced, specialised process to create 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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P49902

UPID:

5NTC_HUMAN

Alternative names:

Cytosolic 5'-nucleotidase II; Cytosolic IMP/GMP-specific 5'-nucleotidase; Cytosolic nucleoside phosphotransferase 5'N; High Km 5'-nucleotidase

Alternative UPACC:

P49902; B7Z382; D3DR91; Q5JUV5

Background:

Cytosolic purine 5'-nucleotidase, also known as Cytosolic 5'-nucleotidase II, plays a pivotal role in cellular metabolism by regulating purine nucleoside/nucleotide pools. This enzyme exhibits broad specificity, catalyzing the dephosphorylation of 6-hydroxypurine nucleoside 5'-monophosphates and transferring phosphates between nucleoside monophosphates, with a preference for inosine, deoxyinosine, and guanosine.

Therapeutic significance:

Linked to Spastic paraplegia 45, autosomal recessive, a neurodegenerative disorder, understanding the role of Cytosolic purine 5'-nucleotidase could open doors to potential therapeutic strategies, especially considering its involvement in regulating critical purine levels in the cell.