Focused On-demand Library for tRNA N6-adenosine threonylcarbamoyltransferase

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
Q9NPF4

UPID:
OSGEP_HUMAN

ALTERNATIVE NAMES:
N6-L-threonylcarbamoyladenine synthase; O-sialoglycoprotein endopeptidase; t(6)A37 threonylcarbamoyladenosine biosynthesis protein OSGEP; tRNA threonylcarbamoyladenosine biosynthesis protein OSGEP

ALTERNATIVE UPACC:
Q9NPF4; Q6IAC3

BACKGROUND:
tRNA N6-adenosine threonylcarbamoyltransferase, also referred to as tRNA threonylcarbamoyladenosine biosynthesis protein OSGEP, is integral to the EKC/KEOPS complex. This protein's function is critical for the biosynthesis of threonylcarbamoyladenosine (t6A) at the N6 position of adenosine in tRNA, a modification necessary for accurate protein synthesis and cellular function.

THERAPEUTIC SIGNIFICANCE:
The association of tRNA N6-adenosine threonylcarbamoyltransferase with Galloway-Mowat syndrome 3 underscores the therapeutic significance of this protein. Exploring its role further could lead to novel therapeutic approaches for treating the severe renal and neurological manifestations of this syndrome. The protein's fundamental role in tRNA modification presents a promising avenue for drug discovery.

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