Focused On-demand Library for Hepatic triacylglycerol lipase

Focused On-demand Libraries - Reaxense Collaboration

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 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

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.

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

P11150

UPID:

LIPC_HUMAN

Alternative names:

Lipase member C; Lysophospholipase; Phospholipase A1

Alternative UPACC:

P11150; A2RUB4; A8K9B6; O43571; P78529; Q99465

Background:

Hepatic triacylglycerol lipase, also known as Lipase member C, Lysophospholipase, and Phospholipase A1, plays a crucial role in lipid metabolism. It catalyzes the hydrolysis of triglycerides and phospholipids in circulating plasma lipoproteins, releasing free fatty acids and smaller lipoprotein particles. This enzyme exhibits a preference for neutral lipid substrates and has a specific affinity for phosphatidylcholine species with polyunsaturated fatty acids.

Therapeutic significance:

Hepatic lipase deficiency, a disorder marked by abnormal lipid levels, is directly linked to mutations in the gene encoding Hepatic triacylglycerol lipase. Understanding the role of this enzyme could open doors to potential therapeutic strategies for managing lipid metabolism disorders.