Focused On-demand Library for DNA (cytosine-5)-methyltransferase 3A

Focused On-demand Libraries - Receptor.AI 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.


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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening 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 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
Q9Y6K1

UPID:
DNM3A_HUMAN

ALTERNATIVE NAMES:
Cysteine methyltransferase DNMT3A; DNA methyltransferase HsaIIIA

ALTERNATIVE UPACC:
Q9Y6K1; E9PEB8; Q86TE8; Q86XF5; Q8IZV0; Q8WXU9

BACKGROUND:
The enzyme DNA (cytosine-5)-methyltransferase 3A, known alternatively as Cysteine methyltransferase DNMT3A or DNA methyltransferase HsaIIIA, is essential for de novo methylation, playing a critical role in the epigenetic landscape of the cell. Its activities include the methylation of DNA in a non-processive manner, preference for DNA linker between nucleosomal cores, and involvement in paternal and maternal imprinting. DNMT3A's function underscores its importance in development and disease.

THERAPEUTIC SIGNIFICANCE:
DNMT3A's mutation has been implicated in various diseases, such as Tatton-Brown-Rahman syndrome, acute myelogenous leukemia, and Heyn-Sproul-Jackson syndrome, highlighting its clinical significance. The enzyme's role in these diseases underscores the potential for DNMT3A as a therapeutic target. Developing inhibitors or modulators of DNMT3A could provide novel treatment options for these genetic disorders, emphasizing the importance of research.

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