Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.


PARTNER
Receptor.AI
 
UPACC
P22570

UPID:
ADRO_HUMAN

ALTERNATIVE NAMES:
Ferredoxin--NADP(+) reductase

ALTERNATIVE UPACC:
P22570; B4DDI7; B4DHX5; B4DQQ4; B4DX24; B7Z7G2; E7EQC1; Q13716; Q4PJI0; Q9BU12

BACKGROUND:
The mitochondrial protein NADPH:adrenodoxin oxidoreductase, alternatively named Ferredoxin--NADP(+) reductase, is crucial for electron transfer in mitochondrial P450 systems. It supports vital processes such as steroidogenesis in adrenal cortex and vitamin D3 hydroxylation in kidneys, underpinning its significance in metabolic pathways.

THERAPEUTIC SIGNIFICANCE:
Given its association with Auditory neuropathy and optic atrophy, exploring NADPH:adrenodoxin oxidoreductase's function could lead to innovative therapeutic approaches. This exploration holds promise for devising interventions for related genetic disorders, emphasizing the protein's therapeutic potential.

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