Focused On-demand Library for Macrophage scavenger receptor types I and II

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 use our state-of-the-art dedicated workflow for designing focused 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

P21757

UPID:

MSRE_HUMAN

Alternative names:

Macrophage acetylated LDL receptor I and II; Scavenger receptor class A member 1

Alternative UPACC:

P21757; D3DSP3; O60505; P21759; Q45F10

Background:

The Macrophage scavenger receptor types I and II, also known as Macrophage acetylated LDL receptor I and II, are membrane glycoproteins crucial in atherogenesis. They mediate the endocytosis of modified low-density lipoproteins (LDL), with isoform III not internalizing acetylated LDL. These receptors play a pivotal role in the pathologic deposition of cholesterol in arterial walls.

Therapeutic significance:

Prostate cancer and Barrett esophagus have been linked to variants affecting the Macrophage scavenger receptor types I and II. Understanding the role of these receptors could open doors to potential therapeutic strategies for these diseases, highlighting their importance in medical research and drug discovery.