AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Arachidonate 12-lipoxygenase, 12R-type

Available from Reaxense
Predicted by Alphafold

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 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.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

O75342

UPID:

LX12B_HUMAN

Alternative names:

Epidermis-type lipoxygenase 12

Alternative UPACC:

O75342

Background:

Arachidonate 12-lipoxygenase, 12R-type, also known as Epidermis-type lipoxygenase 12, plays a pivotal role in the synthesis of corneocytes lipid envelope, essential for the skin barrier's integrity against water loss. It catalyzes the incorporation of dioxygen into polyunsaturated fatty acids, leading to lipid hydroperoxides formation, crucial for skin health and mucin expression regulation.

Therapeutic significance:

The protein's involvement in Ichthyosis, congenital, autosomal recessive 2, underscores its therapeutic potential. Understanding the role of Arachidonate 12-lipoxygenase, 12R-type could open doors to potential therapeutic strategies for skin disorders, highlighting the importance of targeted research in uncovering novel treatments.

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