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

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.

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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.