Focused On-demand Library for Coagulation factor IX

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

P00740

UPID:

FA9_HUMAN

Alternative names:

Christmas factor; Plasma thromboplastin component

Alternative UPACC:

P00740; A8K9N4; F2RM36; Q5FBE1; Q5JYJ8

Background:

Coagulation factor IX, also known as Christmas factor or Plasma thromboplastin component, is a vitamin K-dependent protein crucial for blood coagulation. It activates factor X in the presence of calcium ions, phospholipids, and factor VIIIa, playing a pivotal role in the intrinsic pathway of blood clot formation.

Therapeutic significance:

Factor IX deficiency leads to Hemophilia B, an X-linked blood coagulation disorder with a permanent tendency to hemorrhage. Additionally, mutations in this gene are linked to Thrombophilia and Warfarin sensitivity, highlighting its therapeutic significance in managing blood coagulation disorders and medication sensitivities.