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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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

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

Q9NP81

UPID:

SYSM_HUMAN

Alternative names:

SerRSmt; Seryl-tRNA synthetase; Seryl-tRNA(Ser/Sec) synthetase

Alternative UPACC:

Q9NP81; A6NHW7; B4DE10; Q9BVP3

Background:

Serine--tRNA ligase, mitochondrial (SerRSmt), also known as Seryl-tRNA synthetase, plays a crucial role in protein synthesis by catalyzing the attachment of serine to tRNA(Ser). This enzyme is pivotal in the translation process, ensuring the accurate production of proteins by cells. Its ability to also aminoacylate tRNA(Sec) with serine, forming misacylated tRNA L-seryl-tRNA(Sec), is essential for the further conversion into selenocysteinyl-tRNA(Sec), highlighting its multifaceted role in biological systems.

Therapeutic significance:

SerRSmt is implicated in Hyperuricemia, pulmonary hypertension, renal failure, and alkalosis syndrome, a multisystem disorder with severe outcomes. Understanding the role of Serine--tRNA ligase, mitochondrial could open doors to potential therapeutic strategies, offering hope for targeted treatments for affected individuals.