Focused On-demand Library for Apolipoprotein A-IV

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.

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.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

P06727

UPID:

APOA4_HUMAN

Alternative names:

Apolipoprotein A4

Alternative UPACC:

P06727; A8MSL6; Q14CW8; Q6Q787

Background:

Apolipoprotein A-IV, also known as Apoa-IV, plays a crucial role in lipid metabolism. It is involved in the secretion and catabolism of chylomicrons and VLDL, essential processes for the distribution and breakdown of triglycerides. Furthermore, Apoa-IV is a potent activator of LCAT, an enzyme critical for the maturation of HDL, and facilitates the efficient activation of lipoprotein lipase by ApoC-II, vital for lipid hydrolysis.

Therapeutic significance:

Understanding the role of Apolipoprotein A-IV could open doors to potential therapeutic strategies. Its significant involvement in lipid metabolism and HDL function suggests that targeting Apoa-IV could offer new avenues for treating dyslipidemia and associated cardiovascular diseases.