Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Several key aspects differentiate our library:
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.