Focused On-demand Library for Apolipoprotein C-I

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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.

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

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P02654

UPID:

APOC1_HUMAN

Alternative names:

Apolipoprotein C1

Alternative UPACC:

P02654; B2R526; Q6IB97

Background:

Apolipoprotein C-I, a key player in lipid metabolism, inhibits lipoprotein binding to various receptors, including LDL, VLDL, and LDL receptor-related protein. It associates with HDL and triacylglycerol-rich lipoproteins, comprising a significant portion of their protein content. This protein plays a crucial role in modulating fatty acid uptake, inhibiting cholesteryl ester transfer protein, and binding free fatty acids to reduce their intracellular esterification.

Therapeutic significance:

Understanding the role of Apolipoprotein C-I could open doors to potential therapeutic strategies, particularly in the context of lipid metabolism disorders and cardiovascular diseases. Its ability to modulate lipid profiles suggests a promising avenue for developing treatments aimed at improving heart health and managing dyslipidemia.