Focused On-demand Library for Probable tRNA(His) guanylyltransferase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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

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

Q9NWX6

UPID:

THG1_HUMAN

Alternative names:

Induced in high glucose-1; Interphase cytoplasmic foci protein 45; tRNA-histidine guanylyltransferase

Alternative UPACC:

Q9NWX6; D3DQJ5; Q53G12; Q7L5R3; Q9H0S2

Background:

The Probable tRNA(His) guanylyltransferase, also known as Induced in high glucose-1, Interphase cytoplasmic foci protein 45, and tRNA-histidine guanylyltransferase, plays a crucial role in protein synthesis fidelity. It adds a GMP to the 5'-end of tRNA(His) post-transcription, essential for tRNA recognition. Additionally, it acts as a guanyl-nucleotide exchange factor for MFN1 and MFN2, regulating mitochondrial fusion and contributing to cell survival under oxidative stress.

Therapeutic significance:

Linked to Spinocerebellar ataxia, autosomal recessive, 28, this protein's understanding could pave the way for innovative therapeutic strategies targeting mitochondrial dysfunction and protein synthesis anomalies.