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.

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 use our state-of-the-art dedicated workflow for designing focused 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's 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.