Focused On-demand Library for Plasminogen activator inhibitor 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening 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

Reaxense

upacc

P05120

UPID:

PAI2_HUMAN

Alternative names:

Monocyte Arg-serpin; Placental plasminogen activator inhibitor; Serpin B2; Urokinase inhibitor

Alternative UPACC:

P05120; Q96E96

Background:

Plasminogen activator inhibitor 2 (PAI-2), also known as Serpin B2, plays a crucial role in regulating fibrinolysis by inhibiting urokinase-type plasminogen activator. It is uniquely produced by monocytes and is distinct from the endothelial cell-derived PAI-1. Known by alternative names such as Monocyte Arg-serpin and Placental plasminogen activator inhibitor, PAI-2 is pivotal in maintaining hemostatic balance.

Therapeutic significance:

Understanding the role of Plasminogen activator inhibitor 2 could open doors to potential therapeutic strategies. Its critical function in fibrinolysis and hemostasis positions it as a key target for developing treatments aimed at disorders related to thrombosis and fibrinolytic imbalances.