Focused On-demand Library for Nocturnin

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 utilise our cutting-edge, exclusive workflow to develop focused 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

Q9UK39

UPID:

NOCT_HUMAN

Alternative names:

Carbon catabolite repression 4-like protein

Alternative UPACC:

Q9UK39; D3DNY5; Q14D51; Q9HD93; Q9HD94; Q9HD95

Background:

Nocturnin, also known as Carbon catabolite repression 4-like protein, plays a pivotal role in metabolic regulation. It catalyzes the conversion of NADP(+) to NAD(+) and NADPH to NADH, with a slight preference for NADPH. Beyond its enzymatic activity, Nocturnin exerts post-transcriptional control over metabolic genes, aligning their expression with circadian rhythms. This regulation is crucial for processes such as nutrient absorption, glucose sensitivity, and lipid metabolism. Additionally, Nocturnin influences the balance between adipogenesis and osteogenesis, favoring fat cell formation.

Therapeutic significance:

Understanding the role of Nocturnin could open doors to potential therapeutic strategies. Its involvement in circadian regulation of metabolism and the adipogenesis/osteogenesis balance makes it a promising target for treating metabolic disorders and bone density conditions.