AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3

Available from Reaxense
Predicted by Alphafold

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

Q96T66

UPID:

NMNA3_HUMAN

Alternative names:

Nicotinamide-nucleotide adenylyltransferase 3; Nicotinate-nucleotide adenylyltransferase 3; Pyridine nucleotide adenylyltransferase 3

Alternative UPACC:

Q96T66; B3KVR6; D3DNF2; D3DNF3; Q8N4G1

Background:

Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3, also known as Nicotinamide-nucleotide adenylyltransferase 3, plays a crucial role in NAD(+) biosynthesis. It efficiently catalyzes the conversion of nicotinamide mononucleotide (NMN) and ATP into NAD(+), alongside utilizing various substrates such as GTP and ITP. Its ability to reverse the reaction highlights its versatility in cellular metabolism.

Therapeutic significance:

Understanding the role of Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 could open doors to potential therapeutic strategies. Its fundamental role in NAD(+) biosynthesis and protection against axonal degeneration post-injury underscores its potential in neuroprotective therapies.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.