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 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 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.
Our top-notch dedicated system is used to design specialised 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
A0A087X1C5
UPID:
CP2D7_HUMAN
Alternative names:
-
Alternative UPACC:
A0A087X1C5; Q6XP50
Background:
The Putative cytochrome P450 2D7 plays a crucial role in the metabolism of various drugs and environmental chemicals through oxidation. Its potential involvement in converting codeine to morphine highlights its significance in drug metabolism, although this function has seen mixed evidence in scientific studies.
Therapeutic significance:
Understanding the role of Putative cytochrome P450 2D7 could open doors to potential therapeutic strategies. Its central role in drug metabolism makes it a key target for enhancing the efficacy and safety of pharmacological treatments.