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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P19623
UPID:
SPEE_HUMAN
Alternative names:
Putrescine aminopropyltransferase
Alternative UPACC:
P19623; B1AKP9; Q15511
Background:
Spermidine synthase, also known as Putrescine aminopropyltransferase, plays a crucial role in cellular growth and division by catalyzing the production of spermidine. This enzyme specifically transforms putrescine and decarboxylated S-adenosylmethionine (dcSAM) into spermidine, showcasing a strong preference for putrescine as a substrate. Its activity is pivotal in polyamine biosynthesis, a process essential for cellular functions.
Therapeutic significance:
Understanding the role of Spermidine synthase could open doors to potential therapeutic strategies. Its involvement in polyamine biosynthesis, crucial for cell growth and proliferation, highlights its potential as a target in conditions where these processes are dysregulated.