Focused On-demand Library for NADPH:adrenodoxin oxidoreductase, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P22570

UPID:

ADRO_HUMAN

Alternative names:

Ferredoxin--NADP(+) reductase

Alternative UPACC:

P22570; B4DDI7; B4DHX5; B4DQQ4; B4DX24; B7Z7G2; E7EQC1; Q13716; Q4PJI0; Q9BU12

Background:

NADPH:adrenodoxin oxidoreductase, mitochondrial, also known as Ferredoxin--NADP(+) reductase, plays a pivotal role in mitochondrial P450 systems. It facilitates the first electron transfer in processes including cholesterol side chain cleavage and steroid hydroxylation across various tissues. This protein's activity is essential for the synthesis of steroids, vitamin D metabolism, and bile acid formation.

Therapeutic significance:

The protein's link to Auditory neuropathy and optic atrophy highlights its clinical importance. Understanding the role of NADPH:adrenodoxin oxidoreductase could open doors to potential therapeutic strategies for this autosomal recessive disease, offering hope for targeted treatments.