AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Plasma serine protease inhibitor

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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 high-tech, dedicated method is applied to construct 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

P05154

UPID:

IPSP_HUMAN

Alternative names:

Acrosomal serine protease inhibitor; Plasminogen activator inhibitor 3; Protein C inhibitor; Serpin A5

Alternative UPACC:

P05154; Q07616; Q9UG30

Background:

The Plasma serine protease inhibitor, also known as Protein C inhibitor, Serpin A5, Acrosomal serine protease inhibitor, and Plasminogen activator inhibitor 3, plays a pivotal role in regulating proteolytic activities within the body. It inactivates serine proteases by binding to their serine activation site, thus influencing blood plasma hemostasis, inflammation, and reproductive system functions through its action on various serine proteases involved in coagulation and fertilization.

Therapeutic significance:

Understanding the role of Plasma serine protease inhibitor could open doors to potential therapeutic strategies. Its ability to modulate proteolytic activities central to coagulation and inflammation positions it as a key target for developing treatments for disorders related to these processes.

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