Focused On-demand Library for Vitamin K epoxide reductase complex subunit 1-like protein 1

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

Our top-notch dedicated system is used to design specialised 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.

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

Q8N0U8

UPID:

VKORL_HUMAN

Alternative names:

Alternative UPACC:

Q8N0U8; B4E222; E7ETM5; Q6AHW9; Q6TEK6

Background:

Vitamin K epoxide reductase complex subunit 1-like protein 1 plays a crucial role in vitamin K metabolism. It is responsible for reducing inactive vitamin K 2,3-epoxide to its active form. This process is essential for the vitamin K-mediated protection against oxidative stress and supports the gamma-carboxylation of Glu residues in target proteins, a critical modification for their function.

Therapeutic significance:

Understanding the role of Vitamin K epoxide reductase complex subunit 1-like protein 1 could open doors to potential therapeutic strategies. Its involvement in vitamin K metabolism and protection against oxidative stress highlights its potential as a target in diseases where these processes are compromised.