Focused On-demand Library for Methylcytosine dioxygenase TET3

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Reaxense

upacc

O43151

UPID:

TET3_HUMAN

Alternative names:

Alternative UPACC:

O43151; A6NEI3; J3KNF3; K9JJH7; Q86Z24; Q8TBM9

Background:

Methylcytosine dioxygenase TET3 plays a pivotal role in epigenetic modifications, catalyzing the conversion of 5-methylcytosine into derivatives crucial for chromatin reprogramming post-fertilization. It selectively binds to gene promoters, regulating developmental gene expression and is instrumental in DNA demethylation, particularly in the paternal pronucleus of zygotes.

Therapeutic significance:

Given its involvement in Beck-Fahrner syndrome, characterized by a spectrum of developmental disorders, TET3's functional understanding could pave the way for innovative therapeutic approaches targeting genetic and epigenetic mechanisms underlying such conditions.