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.
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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P51589
UPID:
CP2J2_HUMAN
Alternative names:
Albendazole monooxygenase (hydroxylating); Albendazole monooxygenase (sulfoxide-forming); Arachidonic acid epoxygenase; CYPIIJ2; Hydroperoxy icosatetraenoate isomerase
Alternative UPACC:
P51589; B2RD33; Q8TF13
Background:
Cytochrome P450 2J2, known for its roles as Albendazole monooxygenase and Arachidonic acid epoxygenase, is a pivotal enzyme in the metabolism of polyunsaturated fatty acids within the cardiovascular system. It catalyzes the epoxidation of double bonds in fatty acids, converting arachidonic acid into epoxyeicosatrienoic acids, and plays a crucial role in the metabolism of various xenobiotics, including pharmaceuticals like tamoxifen and cyclosporin A.
Therapeutic significance:
Understanding the role of Cytochrome P450 2J2 could open doors to potential therapeutic strategies, particularly in modulating cardiovascular health through the regulation of polyunsaturated fatty acid metabolism and the detoxification of harmful substances.