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.


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 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.


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 stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q8NFU7

UPID:
TET1_HUMAN

ALTERNATIVE NAMES:
CXXC-type zinc finger protein 6; Leukemia-associated protein with a CXXC domain; Ten-eleven translocation 1 gene protein

ALTERNATIVE UPACC:
Q8NFU7; A0A023HHK9; A0A023HHL0; Q5VUP7; Q7Z6B6; Q8TCR1; Q9C0I7

BACKGROUND:
The protein Methylcytosine dioxygenase TET1, alternatively named Leukemia-associated protein with a CXXC domain, plays a crucial role in the epigenetic regulation of the genome. By oxidizing 5-methylcytosine, TET1 alters histone marks and chromatin accessibility, affecting gene activation and repression. This process is essential for various physiological functions, including inflammation regulation, genomic imprinting, and the balance between pluripotency and differentiation in cells.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Methylcytosine dioxygenase TET1 offers a promising avenue for developing novel therapeutic approaches. Its central role in chromatin regulation and epigenetic modifications presents opportunities for targeting diseases with underlying epigenetic dysregulation.

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