Focused On-demand Library for mRNA cap guanine-N7 methyltransferase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

O43148

UPID:

MCES_HUMAN

Alternative names:

RG7MT1; mRNA (guanine-N(7))-methyltransferase; mRNA cap methyltransferase

Alternative UPACC:

O43148; B0YJ90; D3DUJ5; O94996; Q9UIJ9

Background:

mRNA cap guanine-N7 methyltransferase, also known as RG7MT1, plays a crucial role in the post-transcriptional modification of mRNA. It is the catalytic subunit of the mRNA-capping methyltransferase RNMT:RAMAC complex, responsible for methylating the N7 position of the guanosine added to the 5'-cap structure of mRNAs. This protein binds RNA containing 5'-terminal GpppC, highlighting its specificity in mRNA modification.

Therapeutic significance:

Understanding the role of mRNA cap guanine-N7 methyltransferase could open doors to potential therapeutic strategies. Its pivotal function in mRNA processing suggests that modulating its activity could influence gene expression, offering avenues for intervention in diseases where gene expression is dysregulated.