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

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 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

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.