Focused On-demand Library for Receptor tyrosine-protein kinase erbB-4

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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 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
Q15303

UPID:
ERBB4_HUMAN

ALTERNATIVE NAMES:
Proto-oncogene-like protein c-ErbB-4; Tyrosine kinase-type cell surface receptor HER4; p180erbB4

ALTERNATIVE UPACC:
Q15303; B7ZLD7; B7ZLE2; B7ZLE3; Q2M1W1; Q59EW4

BACKGROUND:
The Proto-oncogene-like protein c-ErbB-4, also known as HER4, is a tyrosine kinase-type cell surface receptor integral to various developmental processes. It mediates critical pathways in cell proliferation, differentiation, and survival, particularly in the heart, CNS, and mammary gland. HER4's interaction with ligands like neuregulins and EGF family members activates signaling cascades essential for cellular function and response.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Amyotrophic lateral sclerosis 19, a condition characterized by motor neuron degeneration, erbB-4 represents a significant target for research into disease mechanisms and therapeutic interventions. Understanding the role of HER4 could open doors to potential therapeutic strategies.

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