Focused On-demand Library for Tyrosine--tRNA ligase, cytoplasmic

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

We employ our advanced, specialised process to create 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.