Focused On-demand Library for Fatty acid-binding protein 5

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

Q01469

UPID:

FABP5_HUMAN

Alternative names:

Epidermal-type fatty acid-binding protein; Fatty acid-binding protein, epidermal; Psoriasis-associated fatty acid-binding protein homolog

Alternative UPACC:

Q01469; B2R4K0

Background:

Fatty acid-binding protein 5 (FABP5) plays a crucial role in the intracellular transport of long-chain fatty acids and related lipids, such as endocannabinoids. It facilitates the delivery of specific fatty acids to the nucleus to activate nuclear receptors, influencing cell proliferation and survival. FABP5 is also pivotal in modulating inflammation through the regulation of PTGES induction and prostaglandin E2 biosynthesis. Its involvement in keratinocyte differentiation highlights its importance in skin health.

Therapeutic significance:

Understanding the role of Fatty acid-binding protein 5 could open doors to potential therapeutic strategies, particularly in the realms of inflammation control, skin health, and metabolic regulation.