Focused On-demand Library for Uridine diphosphate glucose pyrophosphatase NUDT14

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 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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O95848

UPID:

NUD14_HUMAN

Alternative names:

Nucleoside diphosphate-linked moiety X motif 14

Alternative UPACC:

O95848; Q86SJ8

Background:

Uridine diphosphate glucose pyrophosphatase NUDT14, also known as Nucleoside diphosphate-linked moiety X motif 14, plays a crucial role in cellular metabolism by hydrolyzing UDP-glucose to glucose 1-phosphate and UMP, as well as ADP-ribose to ribose 5-phosphate and AMP. Its primary physiological substrate is UDP-glucose, showcasing limited activity on other substrates like ADP-glucose and GDP-glucose.

Therapeutic significance:

Understanding the role of Uridine diphosphate glucose pyrophosphatase NUDT14 could open doors to potential therapeutic strategies. Its pivotal function in metabolic processes positions it as a key target for drug discovery, aiming to modulate metabolic pathways for therapeutic benefits.