Focused On-demand Library for Coagulation factor VII

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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

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.

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

P08709

UPID:

FA7_HUMAN

Alternative names:

Proconvertin; Serum prothrombin conversion accelerator

Alternative UPACC:

P08709; B0YJC8; Q14339; Q5JVF1; Q5JVF2; Q9UD52; Q9UD53; Q9UD54

Background:

Coagulation factor VII, also known as Proconvertin or Serum prothrombin conversion accelerator, plays a pivotal role in initiating the extrinsic pathway of blood coagulation. This serine protease circulates in the blood in a zymogen form and is activated to factor VIIa through minor proteolysis by factor Xa, factor XIIa, factor IXa, or thrombin. Upon activation, in the presence of tissue factor and calcium ions, factor VIIa catalyzes the conversion of factor X to factor Xa and factor IX to factor IXa, facilitating blood clot formation.

Therapeutic significance:

Factor VII deficiency, a hemorrhagic condition with variable presentation, is directly linked to mutations affecting the gene encoding Coagulation factor VII. The disease spectrum ranges from severe, including intracerebral hemorrhages and repeated hemarthroses, to moderate, characterized by cutaneous-mucosal hemorrhages or hemorrhages post-surgical intervention. Understanding the role of Coagulation factor VII could open doors to potential therapeutic strategies for managing this condition.