Focused On-demand Library for Histidine-rich glycoprotein

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.

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

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.

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

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the target protein, both isolated and in complex with key partner proteins, complemented by ensemble virtual screening that accounts for conformational mobility in the unbound and complex states. The tentative binding sites are explored on the protein-protein interaction interface and at remote allosteric locations, encompassing the entire spectrum of potential mechanisms of action.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P04196

UPID:

HRG_HUMAN

Alternative names:

Histidine-proline-rich glycoprotein

Alternative UPACC:

P04196; B9EK35; D3DNU7

Background:

Histidine-rich glycoprotein (HRG), encoded by the gene with accession number P04196, is a multifunctional plasma protein. It interacts with various ligands including heme, heparin, thrombospondin, and plasminogen, playing pivotal roles in processes such as immune clearance, cell adhesion, angiogenesis, and coagulation. HRG's ability to bind to different cell types and molecules underscores its significance in vascular biology and immune response regulation.

Therapeutic significance:

Thrombophilia due to histidine-rich glycoprotein deficiency highlights the critical role of HRG in hemostasis. Understanding HRG's functions and interactions could pave the way for novel therapeutic approaches in managing thrombotic disorders and enhancing immune surveillance and tumor angiogenesis regulation.