Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P54577
UPID:
SYYC_HUMAN
Alternative names:
Tyrosyl-tRNA synthetase
Alternative UPACC:
P54577; B3KWK4; D3DPQ4; O43276; Q53EN1
Background:
Tyrosine--tRNA ligase, also known as Tyrosyl-tRNA synthetase, plays a crucial role in protein synthesis by catalyzing the attachment of tyrosine to tRNA(Tyr), facilitating the accurate translation of the genetic code into proteins. Beyond its primary function, it acts as a positive regulator of poly-ADP-ribosylation in the nucleus, a process vital for DNA repair and cell survival. The activity of this enzyme is modulated by resveratrol, which inhibits its ligase activity while enhancing its role in poly-ADP-ribosyltransferase activity.
Therapeutic significance:
Tyrosine--tRNA ligase is implicated in Charcot-Marie-Tooth disease, dominant intermediate C, and Neurologic, endocrine, and pancreatic disease, multisystem, infantile-onset 2. These associations highlight its potential as a target for therapeutic intervention in peripheral neuropathies and multisystem disorders, underscoring the importance of understanding its functions and regulatory mechanisms.