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 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NWW6
UPID:
NRK1_HUMAN
Alternative names:
Nicotinic acid riboside kinase 1; Ribosylnicotinamide kinase 1; Ribosylnicotinic acid kinase 1
Alternative UPACC:
Q9NWW6; Q5W124; Q8N430
Background:
Nicotinamide riboside kinase 1, also known as Ribosylnicotinamide kinase 1 or Ribosylnicotinic acid kinase 1, plays a crucial role in cellular metabolism. It catalyzes the phosphorylation of nicotinamide riboside (NR) and nicotinic acid riboside (NaR) into nicotinamide mononucleotide (NMN) and nicotinic acid mononucleotide (NaMN), respectively. This enzyme is also capable of phosphorylating antitumor drugs like tiazofurin and 3-deazaguanosine.
Therapeutic significance:
Understanding the role of Nicotinamide riboside kinase 1 could open doors to potential therapeutic strategies. Its ability to phosphorylate key molecules in cellular metabolism and antitumor drugs highlights its potential in drug discovery and cancer therapy.