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

Details

Focused On-demand Libraries - Receptor.AI 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. Reaxense aids in their synthesis and provision.


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 screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
O43776

UPID:
SYNC_HUMAN

ALTERNATIVE NAMES:
Asparaginyl-tRNA synthetase; Asparaginyl-tRNA synthetase 1

ALTERNATIVE UPACC:
O43776; B4DG16; Q53GU6

BACKGROUND:
The Asparagine--tRNA ligase, cytoplasmic, known alternatively as Asparaginyl-tRNA synthetase 1, is crucial for the synthesis of proteins, ensuring the proper attachment of asparagine to tRNA(Asn). Beyond its fundamental role in protein synthesis, it serves as a signaling molecule to induce the migration of specific cell types and is vital for the proper development of the cerebral cortex by supporting the proliferation of radial glial cells.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in neurodevelopmental disorders characterized by microcephaly, language impairment, and gait abnormalities, Asparagine--tRNA ligase, cytoplasmic represents a promising target for therapeutic research. Exploring the functions and mechanisms of this protein could lead to groundbreaking treatments for these debilitating conditions, potentially improving quality of life and developmental outcomes for affected individuals.

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