Focused On-demand Library for Vitamin K-dependent gamma-carboxylase

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

P38435

UPID:

VKGC_HUMAN

Alternative names:

Gamma-glutamyl carboxylase; Peptidyl-glutamate 4-carboxylase; Vitamin K gamma glutamyl carboxylase

Alternative UPACC:

P38435; B4DMC5; E9PEE1; Q14415; Q6GU45

Background:

Vitamin K-dependent gamma-carboxylase plays a pivotal role in the post-translational modification of proteins involved in blood coagulation, bone metabolism, and cardiovascular health. It catalyzes the vitamin K-dependent carboxylation of glutamate residues, a critical process for the activation of several coagulation factors and other proteins such as osteocalcin and matrix Gla protein.

Therapeutic significance:

The protein's malfunction is linked to Combined deficiency of vitamin K-dependent clotting factors 1 (VKCFD) and Pseudoxanthoma elasticum-like disorder, both characterized by coagulation impairments and, in the latter, severe skin laxity. Understanding the role of Vitamin K-dependent gamma-carboxylase could open doors to potential therapeutic strategies for these conditions.