Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P16435
UPID:
NCPR_HUMAN
Alternative names:
-
Alternative UPACC:
P16435; Q16455; Q197M5; Q8N181; Q9H3M8; Q9UDT3
Background:
NADPH--cytochrome P450 reductase plays a pivotal role in the electron transfer from NADP to cytochrome P450, facilitating critical steps in steroidogenesis and drug metabolism. Its ability to also transfer electrons to heme oxygenase and cytochrome B5 underscores its versatility and essential function in cellular biochemistry.
Therapeutic significance:
Linked to diseases such as Antley-Bixler syndrome with genital anomalies and disordered steroidogenesis, and cytochrome P450 oxidoreductase deficiency, this enzyme's dysfunction highlights its crucial role in human health. Understanding the role of NADPH--cytochrome P450 reductase could open doors to potential therapeutic strategies.