Focused On-demand Library for Monoglyceride lipase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q99685

UPID:

MGLL_HUMAN

Alternative names:

HU-K5; Lysophospholipase homolog; Lysophospholipase-like; Monoacylglycerol lipase

Alternative UPACC:

Q99685; B3KRC2; B7Z9D1; Q6IBG9; Q96AA5

Background:

Monoglyceride lipase, known by alternative names such as HU-K5 and Lysophospholipase homolog, plays a crucial role in lipid metabolism. It converts monoacylglycerides to free fatty acids and glycerol, impacting endocannabinoid signaling and pain perception. Its activity regulates fatty acids that influence cancer cell behavior.

Therapeutic significance:

Understanding the role of Monoglyceride lipase could open doors to potential therapeutic strategies. Its involvement in regulating signaling molecules and cancer cell migration highlights its potential as a target in cancer therapy and pain management.