Focused On-demand Library for Apolipoprotein C-II

Focused On-demand Libraries - Reaxense Collaboration

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

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

P02655

UPID:

APOC2_HUMAN

Alternative names:

Apolipoprotein C2

Alternative UPACC:

P02655; C0JYY4; Q9BS39; Q9UDE3; Q9UNK3

Background:

Apolipoprotein C-II, encoded by the gene with accession number P02655, is a vital component of various lipoproteins including chylomicrons, VLDL, LDL, and HDL. It plays a crucial role in lipoprotein metabolism by activating lipoprotein lipase, which is essential for the hydrolysis of triglycerides. In individuals with normolipidemia, Apolipoprotein C-II is predominantly associated with HDL, whereas in those with hypertriglyceridemia, it is found mainly in VLDL and LDL.

Therapeutic significance:

Apolipoprotein C-II's involvement in Hyperlipoproteinemia 1B, characterized by hypertriglyceridemia, xanthomas, and increased risk of pancreatitis and early atherosclerosis, underscores its therapeutic significance. Understanding the role of Apolipoprotein C-II could open doors to potential therapeutic strategies for managing lipid disorders and preventing associated complications.