AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 utilise our cutting-edge, exclusive workflow to develop focused 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 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

Q9HAN9

UPID:

NMNA1_HUMAN

Alternative names:

Nicotinamide-nucleotide adenylyltransferase 1; Nicotinate-nucleotide adenylyltransferase 1

Alternative UPACC:

Q9HAN9; B1AN63; Q8TAE9; Q9H247; Q9H6B6

Background:

Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1, also known as Nicotinamide-nucleotide adenylyltransferase 1, plays a pivotal role in the synthesis of NAD(+) from nicotinamide mononucleotide (NMN) and ATP. This enzyme is crucial for cellular energy metabolism, supporting processes such as chromatin remodeling and DNA repair by facilitating nuclear ATP generation.

Therapeutic significance:

The enzyme's involvement in Leber congenital amaurosis 9 and a complex syndrome featuring retinal degeneration, hearing loss, and developmental delays highlights its potential as a target for therapeutic intervention. Understanding the role of Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1 could open doors to potential therapeutic strategies for these conditions.

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