AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Apolipoprotein A-V

Available from Reaxense
Predicted by Alphafold

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q6Q788

UPID:

APOA5_HUMAN

Alternative names:

Apolipoprotein A5; Regeneration-associated protein 3

Alternative UPACC:

Q6Q788; B0YIV9; Q3MIK6; Q6UWK9; Q9UBJ3

Background:

Apolipoprotein A-V, also known as Apolipoprotein A5 and Regeneration-associated protein 3, plays a crucial role in lipid metabolism. It is primarily associated with high-density lipoprotein (HDL) and to a lesser extent with very low-density lipoprotein (VLDL) and chylomicrons. This protein is a key determinant of plasma triglyceride levels, stimulating apo-CII lipoprotein lipase (LPL) triglyceride hydrolysis and inhibiting hepatic VLDL-TG production rate.

Therapeutic significance:

Apolipoprotein A-V is implicated in Hypertriglyceridemia 1 and Hyperlipoproteinemia 5, conditions characterized by elevated levels of triglycerides and VLDL, leading to an increased risk of heart disease, obesity, and pancreatitis. Understanding the role of Apolipoprotein A-V could open doors to potential therapeutic strategies for these lipid metabolism disorders.

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