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

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q5JTZ9

UPID:

SYAM_HUMAN

Alternative names:

Alanyl-tRNA synthetase

Alternative UPACC:

Q5JTZ9; A2RRN5; Q8N198; Q96D02; Q9ULF0

Background:

Alanine--tRNA ligase, mitochondrial, also known as Alanyl-tRNA synthetase, plays a crucial role in protein synthesis. It catalyzes the attachment of alanine to tRNA(Ala), facilitating the accurate translation of genetic information into functional proteins. Additionally, it ensures the fidelity of protein synthesis through its editing domain, which corrects incorrectly charged tRNA(Ala).

Therapeutic significance:

The protein is implicated in Combined oxidative phosphorylation deficiency 8, a mitochondrial disease with severe cardiomyopathy, and in Leukoencephalopathy with ovarian failure, marked by neurodegeneration and premature ovarian failure. Understanding the role of Alanine--tRNA ligase, mitochondrial, could open doors to potential therapeutic strategies for these conditions.