Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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 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 stands out due to several important features:
partner
Reaxense
upacc
P52788
UPID:
SPSY_HUMAN
Alternative names:
Spermidine aminopropyltransferase
Alternative UPACC:
P52788; A6NHA7; A6NI34; B2R9M0; O00544; Q9UQS1
Background:
Spermine synthase, also known as spermidine aminopropyltransferase, plays a crucial role in cellular processes by catalyzing the production of spermine from spermidine and decarboxylated S-adenosylmethionine (dcSAM). This enzyme is pivotal in the polyamine biosynthetic pathway, which is essential for cell growth and differentiation.
Therapeutic significance:
The enzyme's association with Intellectual developmental disorder, X-linked, syndromic, Snyder-Robinson type, underscores its therapeutic significance. This condition, marked by facial asymmetry, marfanoid habitus, and osteoporosis, highlights the enzyme's potential as a target for therapeutic intervention.