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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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
P98187
UPID:
CP4F8_HUMAN
Alternative names:
CYPIVF8
Alternative UPACC:
P98187
Background:
Cytochrome P450 4F8 (CYPIVF8) is a pivotal enzyme in the metabolism of polyunsaturated fatty acids (PUFAs) and their oxylipins. It primarily functions by inserting one oxygen atom into a substrate and reducing the second into a water molecule, a process facilitated by NADPH via cytochrome P450 reductase. This enzyme exhibits a preference for omega-1 and omega-2 hydroxylation of arachidonate and prostaglandins, alongside epoxidation of PUFAs such as docosahexaenoic and docosapentaenoic acids.
Therapeutic significance:
Understanding the role of Cytochrome P450 4F8 could open doors to potential therapeutic strategies.