Focused On-demand Library for Plasminogen activator inhibitor 1

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P05121

UPID:

PAI1_HUMAN

Alternative names:

Endothelial plasminogen activator inhibitor; Serpin E1

Alternative UPACC:

P05121; B7Z4S0; F8WD53

Background:

Plasminogen activator inhibitor 1 (PAI-1), also known as Serpin E1, plays a pivotal role in the regulation of fibrinolysis, controlling blood clot degradation through its function as a primary inhibitor of tissue-type plasminogen activator (PLAT) and urokinase-type plasminogen activator (PLAU). Beyond its protease inhibitory activity, PAI-1 is instrumental in cell migration, wound healing, and cellular senescence, highlighting its multifaceted role in biological processes.

Therapeutic significance:

The deficiency of PAI-1 leads to a hematologic disorder characterized by increased bleeding, underscoring its therapeutic significance. Targeting PAI-1 could offer novel therapeutic strategies for managing bleeding disorders such as Plasminogen activator inhibitor-1 deficiency, where the balance of fibrinolysis is disrupted. Furthermore, its involvement in cell migration and wound healing presents potential avenues for therapeutic intervention in tissue repair and regenerative medicine.