Focused On-demand Library for rRNA N6-adenosine-methyltransferase METTL5

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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9NRN9

UPID:

METL5_HUMAN

Alternative names:

Methyltransferase-like protein 5

Alternative UPACC:

Q9NRN9; D3DPC9; Q9NVX1

Background:

The rRNA N6-adenosine-methyltransferase METTL5, also known as Methyltransferase-like protein 5, plays a pivotal role in the post-transcriptional modification of 18S rRNA. It specifically methylates the 6th position of adenine in position 1832, a modification crucial for the decoding center's function in translation and embryonic stem cells' pluripotency and differentiation.

Therapeutic significance:

Given its involvement in Intellectual developmental disorder, autosomal recessive 72, characterized by severe intellectual disability and microcephaly, METTL5 presents a promising target for therapeutic intervention. Understanding the role of METTL5 could open doors to potential therapeutic strategies.