Focused On-demand Library for Lysine--tRNA ligase

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct 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 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

Q15046

UPID:

SYK_HUMAN

Alternative names:

Lysyl-tRNA synthetase

Alternative UPACC:

Q15046; A8MSK1; D3DUK4; O14946; Q96J25; Q9HB23

Background:

Lysyl-tRNA synthetase, also known as Lysine--tRNA ligase, plays a crucial role in protein synthesis by catalyzing the attachment of lysine to its cognate tRNA. Beyond its fundamental role in translation, it acts as a signaling molecule, inducing immune responses and mediating transcriptional activity through the synthesis of diadenosine tetraphosphate. Its interaction with HIV-1 GAG protein highlights its significance in viral replication.

Therapeutic significance:

Lysyl-tRNA synthetase is implicated in several genetic disorders, including Charcot-Marie-Tooth disease, various forms of deafness, and complex neurodegenerative diseases. These associations underline its potential as a target for therapeutic intervention in peripheral neuropathies, hearing loss, and neurodegenerative disorders.