Focused On-demand Library for Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 Reaxense.


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 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 is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
Q8N1G2

UPID:
CMTR1_HUMAN

ALTERNATIVE NAMES:
Cap methyltransferase 1; Cap1 2'O-ribose methyltransferase 1; FtsJ methyltransferase domain-containing protein 2; Interferon-stimulated gene 95 kDa protein

ALTERNATIVE UPACC:
Q8N1G2; A8K949; Q14670; Q96FJ9

BACKGROUND:
The enzyme Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, with alternative names such as Cap1 2'O-ribose methyltransferase 1, is essential for the methylation of the 5'-cap structure of mRNAs. This post-transcriptional modification is crucial for mRNA stability and efficient translation, underscoring the enzyme's significance in cellular function and gene expression.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 holds the key to unlocking novel therapeutic approaches. Given its critical role in mRNA processing and potential involvement in the interferon response, targeting this enzyme could lead to innovative treatments for diseases where these pathways are dysregulated.

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