Focused On-demand Library for Platelet factor 4

Details

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.


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 Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


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
Receptor.AI
 
UPACC
P02776

UPID:
PLF4_HUMAN

ALTERNATIVE NAMES:
C-X-C motif chemokine 4; Iroplact; Oncostatin-A

ALTERNATIVE UPACC:
P02776; Q53X61; Q9UC64; Q9UC65

BACKGROUND:
The protein Platelet factor 4, with alternative names such as C-X-C motif chemokine 4, Iroplact, and Oncostatin-A, is integral to the body's defense mechanisms. It binds more strongly to heparin than to chondroitin-4-sulfate, effectively neutralizing heparin's anticoagulant effect. Additionally, it serves as a chemotactic agent for neutrophils and monocytes and plays a role in inhibiting the proliferation of endothelial cells, crucial for its anti-angiogenic properties.

THERAPEUTIC SIGNIFICANCE:
Exploring the multifaceted role of Platelet factor 4 in the body's immune response and coagulation pathways presents a promising avenue for the development of novel therapeutic interventions. Its ability to regulate endothelial cell growth and its chemotactic properties make it a potential target for anti-inflammatory and anti-angiogenic therapies.

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