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.

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 protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

This process entails comprehensive molecular simulations of the target protein, individually and in complex with essential partner proteins, along with ensemble virtual screening that focuses on conformational mobility in both its free and complex states. Potential binding pockets are considered at the protein-protein interaction interface and in remote allosteric locations to address every conceivable mechanism of action.

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

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.