Focused On-demand Library for Fatty acid-binding protein, heart

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.

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 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P05413

UPID:

FABPH_HUMAN

Alternative names:

Fatty acid-binding protein 3; Heart-type fatty acid-binding protein; Mammary-derived growth inhibitor; Muscle fatty acid-binding protein

Alternative UPACC:

P05413; B2RAB6; Q5VV93; Q99957

Background:

Fatty acid-binding protein, heart (FABP3), also known as Heart-type fatty acid-binding protein, plays a crucial role in the intracellular transport of long-chain fatty acids and their acyl-CoA esters. It is alternatively named as Mammary-derived growth inhibitor and Muscle fatty acid-binding protein, highlighting its diverse functions in various tissues.

Therapeutic significance:

Understanding the role of Fatty acid-binding protein, heart could open doors to potential therapeutic strategies. Its involvement in fatty acid metabolism suggests its potential impact on metabolic disorders and cardiovascular diseases.