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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9GZZ1
UPID:
NAA50_HUMAN
Alternative names:
N-acetyltransferase 13; N-acetyltransferase 5; N-acetyltransferase san homolog; N-epsilon-acetyltransferase 50; NatE catalytic subunit
Alternative UPACC:
Q9GZZ1; D3DN74; Q68DQ1
Background:
N-alpha-acetyltransferase 50, known by alternative names such as N-acetyltransferase 13 and NatE catalytic subunit, plays a pivotal role in protein modification. It acetylates the N-terminus of proteins retaining their initiating methionine and exhibits a broad substrate specificity. This enzyme is part of N-alpha-acetyltransferase complexes, significantly contributing to N-terminal acetylation at the ribosome exit tunnel. Its activity is crucial for the modification of various peptides, excluding those with a proline in the second position.
Therapeutic significance:
Understanding the role of N-alpha-acetyltransferase 50 could open doors to potential therapeutic strategies. Its involvement in protein acetylation underscores its importance in cellular processes, suggesting that targeting this enzyme could offer new avenues for drug discovery and development.