Focused On-demand Library for Threonylcarbamoyl-AMP synthase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 utilise our cutting-edge, exclusive workflow to develop focused 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.

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

Q86U90

UPID:

YRDC_HUMAN

Alternative names:

Dopamine receptor-interacting protein 3; Ischemia/reperfusion-inducible protein homolog

Alternative UPACC:

Q86U90; Q4W4X8; Q6NVW3; Q7L4E4; Q7Z2I4; Q9H5F8

Background:

Threonylcarbamoyl-AMP synthase, also known as Dopamine receptor-interacting protein 3 and Ischemia/reperfusion-inducible protein homolog, plays a crucial role in protein synthesis. It is essential for the formation of a threonylcarbamoyl group on adenosine at position 37 in tRNAs that read codons beginning with adenine. This process is vital for the accurate translation of the genetic code into proteins, occurring in both cytoplasmic and mitochondrial tRNAs.

Therapeutic significance:

The protein's involvement in Galloway-Mowat syndrome 10, a severe renal-neurological disease, highlights its clinical importance. Understanding the role of Threonylcarbamoyl-AMP synthase could open doors to potential therapeutic strategies for this condition, which is characterized by early-onset nephrotic syndrome, central nervous system abnormalities, and a fatal outcome.