Focused On-demand Library for Arachidonate 5-lipoxygenase-activating protein

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

P20292

UPID:

AL5AP_HUMAN

Alternative names:

FLAP; MK-886-binding protein

Alternative UPACC:

P20292; Q5VV04

Background:

Arachidonate 5-lipoxygenase-activating protein (ALOX5AP), also known as FLAP and MK-886-binding protein, plays a pivotal role in leukotriene biosynthesis. This protein is essential for anchoring ALOX5 to the membrane and facilitating the transfer of arachidonic acid to ALOX5, a critical step in the production of leukotrienes.

Therapeutic significance:

Given its crucial role in leukotriene biosynthesis, ALOX5AP is directly linked to ischemic stroke, a condition characterized by the death of brain tissue due to vascular occlusion. Understanding the function of ALOX5AP could lead to novel therapeutic strategies targeting the molecular pathways involved in stroke and other leukotriene-associated diseases.