Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8N1T3
UPID:
MYO1H_HUMAN
Alternative names:
Myosin-1H
Alternative UPACC:
Q8N1T3; F5H3C6
Background:
Unconventional myosin-Ih, also known as Myosin-1H, is an actin-based motor molecule with ATPase activity, primarily involved in intracellular movements. Its unique tail regions are believed to attach to membranous compartments, facilitating movement along actin filaments.
Therapeutic significance:
Myosin-1H is linked to Central hypoventilation syndrome, congenital, 2, and autonomic dysfunction, a disorder marked by abnormal respiratory control. Understanding the role of Myosin-1H could open doors to potential therapeutic strategies for this rare condition.