Focused On-demand Library for Nicotinate-nucleotide pyrophosphorylase [carboxylating]

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q15274

UPID:

NADC_HUMAN

Alternative names:

Quinolinate phosphoribosyltransferase [decarboxylating]

Alternative UPACC:

Q15274; Q53XW7; Q96G22; Q9BSG6

Background:

Nicotinate-nucleotide pyrophosphorylase [carboxylating], also known as Quinolinate phosphoribosyltransferase [decarboxylating], plays a crucial role in the catabolism of quinolinic acid (QA). This enzyme is pivotal in the metabolic pathways that regulate the synthesis and degradation of nicotinamide adenine dinucleotide (NAD+), a coenzyme essential for energy production and cellular metabolism.

Therapeutic significance:

Understanding the role of Nicotinate-nucleotide pyrophosphorylase [carboxylating] could open doors to potential therapeutic strategies. Its involvement in NAD+ metabolism suggests its potential impact on conditions related to energy dysregulation and cellular aging.