Focused On-demand Library for tRNA dimethylallyltransferase

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9H3H1

UPID:

MOD5_HUMAN

Alternative names:

Isopentenyl-diphosphate:tRNA isopentenyltransferase; hGRO1; tRNA isopentenyltransferase 1

Alternative UPACC:

Q9H3H1; A1A4X7; Q3T7B5; Q5QPK5; Q5QPK6; Q6IAC9; Q96FJ3; Q96L45; Q9NXT7

Background:

tRNA dimethylallyltransferase, also known as Isopentenyl-diphosphate:tRNA isopentenyltransferase, plays a crucial role in the modification of tRNAs. It catalyzes the transfer of a dimethylallyl group onto adenine at position 37 of tRNAs, facilitating the formation of N6-(dimethylallyl)adenosine. This modification is essential for the proper functioning of both cytosolic and mitochondrial tRNAs, impacting selenoprotein expression significantly.

Therapeutic significance:

The protein's involvement in Combined oxidative phosphorylation deficiency 35, a disorder marked by defective mitochondrial metabolism, underscores its therapeutic significance. Understanding the role of tRNA dimethylallyltransferase could open doors to potential therapeutic strategies for addressing mitochondrial diseases and enhancing mitochondrial function.