AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9Y2Z4

UPID:

SYYM_HUMAN

Alternative names:

Tyrosyl-tRNA synthetase

Alternative UPACC:

Q9Y2Z4; D3DUW8; Q9H817

Background:

Tyrosine--tRNA ligase, mitochondrial, also known as Tyrosyl-tRNA synthetase, plays a crucial role in protein synthesis. It catalyzes the attachment of tyrosine to tRNA(Tyr) in a two-step reaction, involving the activation of tyrosine by ATP to form Tyr-AMP and its subsequent transfer to the acceptor end of tRNA(Tyr).

Therapeutic significance:

The protein is implicated in Myopathy with lactic acidosis and sideroblastic anemia 2, a rare disorder affecting skeletal muscle and bone marrow. This association highlights its potential as a target for therapeutic intervention in mitochondrial diseases.

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