Focused On-demand Library for Mucolipin-1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.