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 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 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q13423
UPID:
NNTM_HUMAN
Alternative names:
Nicotinamide nucleotide transhydrogenase; Pyridine nucleotide transhydrogenase
Alternative UPACC:
Q13423; Q16796; Q2TB60; Q8N3V4
Background:
NAD(P) transhydrogenase, mitochondrial, also known as Nicotinamide nucleotide transhydrogenase or Pyridine nucleotide transhydrogenase, plays a pivotal role in cellular energy metabolism. It facilitates the transhydrogenation between NADH and NADP, a process coupled to respiration and ATP hydrolysis, acting as a proton pump across membranes. This enzyme is also implicated in the detoxification of reactive oxygen species (ROS) in the adrenal gland.
Therapeutic significance:
The protein is linked to Glucocorticoid deficiency 4 with or without mineralocorticoid deficiency, a rare disorder characterized by adrenal insufficiency and cortisol production failure. Understanding the role of NAD(P) transhydrogenase could open doors to potential therapeutic strategies for this condition.