Focused On-demand Library for Low density lipoprotein receptor adapter protein 1

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 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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Q5SW96

UPID:

ARH_HUMAN

Alternative names:

Autosomal recessive hypercholesterolemia protein

Alternative UPACC:

Q5SW96; A2BHI5; Q6TQS9; Q8N2Y0; Q9UFI9

Background:

Low density lipoprotein receptor adapter protein 1, also known as the autosomal recessive hypercholesterolemia protein, plays a crucial role in lipid metabolism. It acts as an adapter protein necessary for the efficient endocytosis of the LDL receptor in specific cells, facilitating the internalization of LDL and its receptor from coated pits. This protein's interaction with phosphoinositides is vital for clathrin bud assembly at the cell surface.

Therapeutic significance:

Given its pivotal role in lipid metabolism and the endocytosis of LDL receptors, Low density lipoprotein receptor adapter protein 1 is directly linked to familial hypercholesterolemia, type 4. This association highlights its potential as a target for therapeutic strategies aimed at treating or managing hypercholesterolemia and its complications, such as atherosclerosis and coronary heart disease.