Focused On-demand Library for Polyunsaturated fatty acid lipoxygenase ALOX15B

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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

O15296

UPID:

LX15B_HUMAN

Alternative names:

15-lipoxygenase 2; Arachidonate 15-lipoxygenase B; Arachidonate 15-lipoxygenase type II; Linoleate 13-lipoxygenase 15-LOb

Alternative UPACC:

O15296; D3DTR2; Q8IYQ2; Q8TEV3; Q8TEV4; Q8TEV5; Q8TEV6; Q9UKM4

Background:

Polyunsaturated fatty acid lipoxygenase ALOX15B, also known as 15-lipoxygenase 2, plays a crucial role in the metabolism of polyunsaturated fatty acids (PUFAs). It catalyzes the peroxidation of PUFAs, leading to the production of bioactive lipid mediators. These mediators are involved in various biological processes, including inflammation and cell proliferation. ALOX15B's ability to convert arachidonate and linoleate into hydroperoxyeicosatetraenoate and hydroperoxyoctadecadienoate, respectively, underscores its significance in cellular signaling and immune response modulation.

Therapeutic significance:

Understanding the role of Polyunsaturated fatty acid lipoxygenase ALOX15B could open doors to potential therapeutic strategies. Its involvement in the production of bioactive lipid mediators suggests a pivotal role in regulating inflammation and immune responses, making it a target of interest for developing anti-inflammatory and immune-modulating drugs.