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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q5SQI0
UPID:
ATAT_HUMAN
Alternative names:
Acetyltransferase mec-17 homolog
Alternative UPACC:
Q5SQI0; A2AB28; Q3LIB0; Q5JP39; Q5JP40; Q5JP42; Q5SQI1; Q5SU03; Q86X42; Q8NDK9; Q9BRS1; Q9H8X5
Background:
Alpha-tubulin N-acetyltransferase 1, also known as Acetyltransferase mec-17 homolog, plays a pivotal role in microtubule dynamics by specifically acetylating 'Lys-40' in alpha-tubulin. This acetylation promotes microtubule destabilization and accelerates their dynamics, crucial for cellular processes such as sperm flagellar function, cell locomotion, and chemotaxis. Its unique mechanism involves entering microtubules from each end, diffusing quickly, and selectively acetylating long/old microtubules.
Therapeutic significance:
Understanding the role of Alpha-tubulin N-acetyltransferase 1 could open doors to potential therapeutic strategies, especially in conditions where microtubule dynamics are disrupted.