Focused On-demand Library for NADH-cytochrome b5 reductase 2

Details

Focused On-demand Libraries - Receptor.AI 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. Reaxense helps in synthesizing and delivering these compounds.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q6BCY4

UPID:
NB5R2_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q6BCY4; Q9BVA3; Q9UF68; Q9UHJ0

BACKGROUND:
The enzyme NADH-cytochrome b5 reductase 2 is integral to the desaturation and elongation of fatty acids, cholesterol synthesis, and the metabolism of various drugs. It also plays a crucial role in reducing methemoglobin in red blood cells, underscoring its significance in oxygen transport and cellular respiration. Furthermore, its activity in spermatozoa through NADH-dependent lucigenin chemiluminescence underlines its importance in fertility.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of NADH-cytochrome b5 reductase 2 offers a promising avenue for the development of therapeutic interventions. Given its central role in fundamental biological processes, targeting this enzyme could lead to breakthroughs in the treatment of cholesterol-related diseases, metabolic syndromes, and reproductive health issues.

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