Focused On-demand Library for Plasminogen

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
P00747

UPID:
PLMN_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P00747; Q15146; Q5TEH4; Q6PA00

BACKGROUND:
Plasminogen, the precursor to plasmin, is essential in the physiological breakdown of blood clots and plays a significant role in tissue repair and remodeling. Its involvement in processes such as tumor invasion and ovulation, through the weakening of the Graafian follicle, illustrates its broad biological impact. Furthermore, plasminogen's interaction with microbial proteins indicates its role in host-pathogen interactions, emphasizing its importance in both health and disease.

THERAPEUTIC SIGNIFICANCE:
The therapeutic significance of plasminogen extends to its involvement in diseases like plasminogen deficiency and hereditary angioedema. The former is characterized by impaired extracellular fibrinolysis, leading to pseudomembranous lesions, while the latter affects swelling in various body parts. Targeting plasminogen pathways offers a promising avenue for developing treatments for these disorders, highlighting the need for continued research into its biological functions.

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