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.
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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening 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:
partner
Reaxense
upacc
Q96F10
UPID:
SAT2_HUMAN
Alternative names:
Diamine acetyltransferase 2; Spermidine/spermine N(1)-acetyltransferase 2
Alternative UPACC:
Q96F10
Background:
Thialysine N-epsilon-acetyltransferase, also known as Diamine acetyltransferase 2, plays a crucial role in the N-acetylation of thialysine, a L-lysine analog. This enzyme's activity extends to the potential acetylation of polyamines like norspermidine, though its efficacy in vivo as a diamine acetyltransferase is debated.
Therapeutic significance:
Understanding the role of Thialysine N-epsilon-acetyltransferase could open doors to potential therapeutic strategies. Its involvement in amino acid and polyamine metabolism presents a unique target for drug discovery efforts.