Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
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.