Focused On-demand Library for Polyunsaturated fatty acid lipoxygenase ALOX15B

Details

Focused On-demand Libraries - Receptor.AI 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. Reaxense helps in synthesizing and delivering these compounds.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
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:
The enzyme Polyunsaturated fatty acid lipoxygenase ALOX15B, known for its roles in the stereo-specific peroxidation of free and esterified polyunsaturated fatty acids, generates a spectrum of bioactive lipid mediators. These mediators play critical roles in inflammation, immune response, and cell cycle progression. ALOX15B's activity on arachidonate and linoleate, leading to the production of specialized pro-resolving mediators, highlights its importance in resolving inflammation and promoting healing.

THERAPEUTIC SIGNIFICANCE:
The exploration of Polyunsaturated fatty acid lipoxygenase ALOX15B's functions offers promising avenues for therapeutic intervention. Its central role in generating lipid mediators that regulate inflammation and immune responses positions it as a potential target for the development of novel therapies aimed at controlling inflammatory diseases and enhancing the body's healing processes.

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