Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
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.