Focused On-demand Library for Platelet factor 4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

Our top-notch dedicated system is used to design specialised 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

P02776

UPID:

PLF4_HUMAN

Alternative names:

C-X-C motif chemokine 4; Iroplact; Oncostatin-A

Alternative UPACC:

P02776; Q53X61; Q9UC64; Q9UC65

Background:

Platelet factor 4, also known as C-X-C motif chemokine 4, Iroplact, and Oncostatin-A, plays a crucial role in the body's response to injury and inflammation. It is released during platelet aggregation and has a unique ability to neutralize the anticoagulant effects of heparin. This protein is not only a chemotactic agent for neutrophils and monocytes but also a significant inhibitor of endothelial cell proliferation, with its shorter form being more potent.

Therapeutic significance:

Understanding the role of Platelet factor 4 could open doors to potential therapeutic strategies. Its involvement in modulating inflammation and coagulation processes highlights its potential as a target for developing treatments for inflammatory and coagulation disorders.