AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Reaxense

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:

Receptor tyrosine-protein kinase erbB-4, known as c-ErbB-4, plays a pivotal role in cell communication and signal transduction. It is essential for heart development, the central nervous system, and mammary gland differentiation. This protein acts as a receptor for neuregulins and EGF family members, triggering cellular responses through dimerization and autophosphorylation. Its activity influences gene transcription, cell proliferation, differentiation, migration, and apoptosis.

Therapeutic significance:

Amyotrophic lateral sclerosis 19, a neurodegenerative disorder, is linked to mutations affecting erbB-4. Understanding the role of Receptor tyrosine-protein kinase erbB-4 could open doors to potential therapeutic strategies for this fatal condition.

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