Focused On-demand Library for Low-density lipoprotein receptor-related protein 6

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.

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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

O75581

UPID:

LRP6_HUMAN

Alternative names:

Alternative UPACC:

O75581; Q17RZ2

Background:

Low-density lipoprotein receptor-related protein 6 (LRP6) is a core component of the Wnt-Fzd-LRP5-LRP6 complex, crucial for beta-catenin signaling activation, which influences bone formation and epiblast posterior patterning during gastrulation. Its interaction with the Wnt-induced Fzd/LRP6 coreceptor complex and subsequent recruitment of DVL1 polymers and the AXIN1/GSK3B-complex to the plasma membrane are pivotal for signalosome formation and beta-catenin stabilization.

Therapeutic significance:

LRP6's involvement in coronary artery disease and selective tooth agenesis highlights its potential as a therapeutic target. Understanding the role of LRP6 could open doors to novel strategies for treating these conditions, emphasizing the importance of research into its biological mechanisms and interactions.