Focused On-demand Library for S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase TYW1

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

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

Reaxense

upacc

Q9NV66

UPID:

TYW1_HUMAN

Alternative names:

Radical S-adenosyl methionine and flavodoxin domain-containing protein 1; tRNA wybutosine-synthesizing protein 1 homolog; tRNA-yW-synthesizing protein

Alternative UPACC:

Q9NV66; Q6PJG8; Q75MG8; Q75MN3; Q86V12; Q8IVS7; Q9H9C4

Background:

S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase TYW1, also known as Radical S-adenosyl methionine and flavodoxin domain-containing protein 1, plays a crucial role in the wybutosine biosynthesis pathway. This pathway is essential for the modification of guanosine in eukaryotic phenylalanine tRNA, leading to the production of the tricyclic base, 4-demethylwyosine, an intermediate in wybutosine biosynthesis. The protein's activity involves the condensation of N-methylguanine with pyruvate to form this critical intermediate.

Therapeutic significance:

Understanding the role of S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase TYW1 could open doors to potential therapeutic strategies.