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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q6P988
UPID:
NOTUM_HUMAN
Alternative names:
hNOTUM
Alternative UPACC:
Q6P988; Q8N410; Q8NI82
Background:
Palmitoleoyl-protein carboxylesterase NOTUM, also known as hNOTUM, plays a pivotal role in the Wnt signaling pathway. It acts as a key negative regulator by mediating the depalmitoleoylation of WNT proteins, which is crucial for their binding to frizzled receptors. This process is essential for the proper functioning of the Wnt pathway, a critical regulator of cell fate determination, proliferation, and migration.
Therapeutic significance:
Understanding the role of Palmitoleoyl-protein carboxylesterase NOTUM could open doors to potential therapeutic strategies. Its unique function in the Wnt signaling pathway makes it a promising target for drug discovery, aiming to modulate this pathway in various diseases where it is implicated.