Focused On-demand Library for Probable transmembrane reductase CYB561D1

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

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.

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

Reaxense

upacc

Q8N8Q1

UPID:

C56D1_HUMAN

Alternative names:

Cytochrome b561 domain-containing protein 1

Alternative UPACC:

Q8N8Q1; B4DH97; E9PCM8; Q52M36; Q5T6C2; Q5T6C3

Background:

The Probable transmembrane reductase CYB561D1, also known as Cytochrome b561 domain-containing protein 1, plays a crucial role in cellular redox processes. It is believed to facilitate the transfer of electrons across membranes, utilizing ascorbate as an electron donor to reduce monodehydro-L-ascorbate radicals and iron cations Fe(3+) in different cellular compartments.

Therapeutic significance:

Understanding the role of Probable transmembrane reductase CYB561D1 could open doors to potential therapeutic strategies. Its involvement in electron transfer and redox balance positions it as a key player in cellular health and disease prevention.