Focused On-demand Library for Thialysine N-epsilon-acetyltransferase

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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Q96F10

UPID:
SAT2_HUMAN

ALTERNATIVE NAMES:
Diamine acetyltransferase 2; Spermidine/spermine N(1)-acetyltransferase 2

ALTERNATIVE UPACC:
Q96F10

BACKGROUND:
The enzyme Thialysine N-epsilon-acetyltransferase, alternatively named Spermidine/spermine N(1)-acetyltransferase 2, catalyzes the acetylation of thialysine and possibly polyamines. Despite its weak acetylation of polyamines suggesting limited in vivo activity as a diamine acetyltransferase, its biochemical pathways are of significant interest.

THERAPEUTIC SIGNIFICANCE:
Exploring the biochemical pathways of Thialysine N-epsilon-acetyltransferase offers a promising avenue for the development of novel therapeutic approaches. Its specific enzymatic functions highlight potential targets for intervention in metabolic disorders.

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