Focused On-demand Library for Coagulation factor VII

Details

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
P08709

UPID:
FA7_HUMAN

ALTERNATIVE NAMES:
Proconvertin; Serum prothrombin conversion accelerator

ALTERNATIVE UPACC:
P08709; B0YJC8; Q14339; Q5JVF1; Q5JVF2; Q9UD52; Q9UD53; Q9UD54

BACKGROUND:
The Coagulation factor VII, known alternatively as Proconvertin or Serum prothrombin conversion accelerator, is crucial for blood coagulation, initiating the extrinsic pathway. It exists in the bloodstream as a zymogen and is activated to its active form, factor VIIa, by several factors including factor Xa and thrombin. Factor VIIa, in conjunction with tissue factor and calcium ions, is essential for the conversion of factor X to Xa and factor IX to IXa, playing a key role in the coagulation cascade.

THERAPEUTIC SIGNIFICANCE:
The deficiency of Factor VII manifests in a spectrum of hemorrhagic disorders, attributable to genetic variants in the factor VII gene. This condition can range from severe, with early onset intracerebral hemorrhages, to moderate, marked by mucosal hemorrhages or post-operative bleeding. The exploration of Coagulation factor VII's function is critical for developing novel therapeutic approaches for treating Factor VII deficiency.

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