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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
P49366
UPID:
DHYS_HUMAN
Alternative names:
-
Alternative UPACC:
P49366; A8K688; M0R1I5; Q13184; Q13276; Q9UDG0
Background:
Deoxyhypusine synthase plays a pivotal role in cellular growth and proliferation through its unique enzymatic function. It catalyzes the first step in the post-translational modification of eIF-5A precursor protein, leading to the formation of hypusine, a rare amino acid essential for eIF-5A's activity.
Therapeutic significance:
The protein's involvement in neurodevelopmental disorder with seizures and speech and walking impairment highlights its potential as a therapeutic target. Understanding the role of Deoxyhypusine synthase could open doors to potential therapeutic strategies for treating such neurodevelopmental disorders.