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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9NWM0
UPID:
SMOX_HUMAN
Alternative names:
Polyamine oxidase 1
Alternative UPACC:
Q9NWM0; A2A2P5; A2A2P6; A8BE87; D3DVZ4; Q5TE26; Q5TE27; Q6UY28; Q8IX00; Q96LC3; Q96LC4; Q96QT3; Q9BW38; Q9H6H1; Q9NP51; Q9NPY1; Q9NPY2
Background:
Spermine oxidase, also known as Polyamine oxidase 1, is a flavoenzyme vital in the metabolism of polyamines. It catalyzes the oxidation of spermine to spermidine, impacting cellular polyamine levels. This enzyme exhibits substrate specificity, influenced by isoform and experimental conditions, and plays a crucial role in maintaining intracellular polyamine concentration.
Therapeutic significance:
Understanding the role of Spermine oxidase could open doors to potential therapeutic strategies. Its ability to regulate polyamine levels suggests its involvement in cellular processes critical for health and disease, making it a target for exploring antitumor strategies.