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

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening 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

Reaxense

upacc

Q9UGM6

UPID:

SYWM_HUMAN

Alternative names:

(Mt)TrpRS; Tryptophanyl-tRNA synthetase

Alternative UPACC:

Q9UGM6; B1ALR1; B2R9D4; Q53FT4; Q5VUD2; Q86TQ0

Background:

Tryptophan--tRNA ligase, mitochondrial (MtTrpRS), also known as Tryptophanyl-tRNA synthetase, plays a crucial role in mitochondrial protein synthesis. It activates and transfers amino acids to their corresponding tRNAs, facilitating the translation of mitochondrial genes.

Therapeutic significance:

MtTrpRS is implicated in severe neurodevelopmental disorders, including mitochondrial disorders with abnormal movements and lactic acidosis, and childhood-onset Parkinsonism-dystonia 3. Understanding its function could lead to novel therapeutic strategies for these debilitating conditions.