Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P16083
UPID:
NQO2_HUMAN
Alternative names:
NRH dehydrogenase [quinone] 2; NRH:quinone oxidoreductase 2; Quinone reductase 2
Alternative UPACC:
P16083; B2R492; Q5TD04
Background:
Ribosyldihydronicotinamide dehydrogenase [quinone], also known as NRH dehydrogenase [quinone] 2, NRH:quinone oxidoreductase 2, and Quinone reductase 2, plays a pivotal role in detoxification pathways. It acts as a quinone reductase, facilitating the conjugation reactions of hydroquinones. This enzyme is also crucial in biosynthetic processes, including the vitamin K-dependent gamma-carboxylation of glutamate residues essential for prothrombin synthesis.
Therapeutic significance:
Understanding the role of Ribosyldihydronicotinamide dehydrogenase [quinone] could open doors to potential therapeutic strategies.