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 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 employ our advanced, specialised process to create targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O15146
UPID:
MUSK_HUMAN
Alternative names:
Muscle-specific tyrosine-protein kinase receptor
Alternative UPACC:
O15146; Q32MJ8; Q32MJ9; Q5VZW7; Q5VZW8
Background:
Muscle, skeletal receptor tyrosine-protein kinase (MuSK) is pivotal in neuromuscular junction (NMJ) formation and maintenance, mediating postsynaptic differentiation. It activates through agrin-LRP4-MuSK signaling, leading to acetylcholine receptor (AChR) clustering, essential for muscle activation.
Therapeutic significance:
MuSK's dysfunction is linked to congenital myasthenic syndrome 9 and fetal akinesia deformation sequence 1, highlighting its potential as a therapeutic target for neuromuscular disorders.