AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

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.

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

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.

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