Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P09917
UPID:
LOX5_HUMAN
Alternative names:
Arachidonate 5-lipoxygenase
Alternative UPACC:
P09917; B7ZLS0; E5FPY5; E5FPY7; E5FPY8; Q5JQ14
Background:
Arachidonate 5-lipoxygenase, a pivotal enzyme in the biosynthesis of leukotrienes, catalyzes the transformation of arachidonate to 5-hydroperoxyeicosatetraenoate and subsequently to leukotriene A4. These compounds are crucial mediators of inflammation. Beyond its primary role, this enzyme also processes oxidized fatty acids, generating specialized pro-resolving mediators like lipoxins and resolvins, which play significant roles in anti-inflammatory responses. Its activity extends to influencing dendritic cell migration, wound healing, and adaptive humoral immunity.
Therapeutic significance:
Understanding the role of Arachidonate 5-lipoxygenase could open doors to potential therapeutic strategies, particularly in managing inflammatory conditions and enhancing wound healing processes.