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.
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 use our state-of-the-art dedicated workflow for designing focused 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9GZU1
UPID:
MCLN1_HUMAN
Alternative names:
MG-2; Mucolipidin; Transient receptor potential channel mucolipin 1
Alternative UPACC:
Q9GZU1; D6W647; Q7Z4F7; Q9H292; Q9H4B3; Q9H4B5
Background:
Mucolipin-1, also known as MG-2 or Transient receptor potential channel mucolipin 1, plays a pivotal role in cellular processes by acting as a nonselective cation channel. It is crucial for the regulation of membrane trafficking, metal homeostasis, and Ca(2+) release from lysosomal vesicles. This protein is involved in various lysosome-dependent cellular events, including organelle fusion, trafficking, exocytosis, and autophagy. Additionally, Mucolipin-1 is essential for macrophage phagocytosis and lactosylceramide trafficking, indicating its role in endocytic membrane fusion events. It also functions as a sensor for lysosomal active oxygen species, triggering autophagy and regulating mTORC1 signaling.
Therapeutic significance:
Mucolipin-1's association with Mucolipidosis 4, a severe lysosomal storage disorder, underscores its therapeutic significance. Understanding the role of Mucolipin-1 could open doors to potential therapeutic strategies for treating this debilitating condition by targeting the underlying genetic and biochemical pathways.