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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P11245
UPID:
ARY2_HUMAN
Alternative names:
Arylamide acetylase 2; N-acetyltransferase type 2; Polymorphic arylamine N-acetyltransferase
Alternative UPACC:
P11245; O43637; O60654; O60655; Q13146; Q16697; Q2MLE4; Q2MLF5; Q2MLG8; Q2MLJ6; Q2MLK4; Q2MLK6; Q2MLN7; Q6LET4; Q86XS0; Q86XS1; Q96KY8; Q96T64; Q96T65; Q9H220
Background:
Arylamine N-acetyltransferase 2, known by alternative names such as Arylamide acetylase 2, N-acetyltransferase type 2, and Polymorphic arylamine N-acetyltransferase, plays a crucial role in the detoxification of various drugs. It catalyzes the N- or O-acetylation of arylamine and heterocyclic amine substrates, contributing to the bioactivation of several carcinogens.
Therapeutic significance:
Understanding the role of Arylamine N-acetyltransferase 2 could open doors to potential therapeutic strategies. Its involvement in drug detoxification and bioactivation of carcinogens highlights its importance in pharmacogenomics and cancer research.