Focused On-demand Library for Beta-citrylglutamate synthase B

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q9ULI2

UPID:
RIMKB_HUMAN

ALTERNATIVE NAMES:
N-acetyl-aspartylglutamate synthetase B; Ribosomal protein S6 modification-like protein B

ALTERNATIVE UPACC:
Q9ULI2; B7Z834; D3DUV2; Q8N4P4; Q8WTW6

BACKGROUND:
The enzyme Beta-citrylglutamate synthase B, known alternatively as N-acetyl-aspartylglutamate synthetase B, is integral to the biosynthesis of beta-citryl-L-glutamate more efficiently than N-acetyl-L-aspartyl-L-glutamate. This specificity underscores its critical function in amino acid synthesis pathways.

THERAPEUTIC SIGNIFICANCE:
The exploration of Beta-citrylglutamate synthase B's function presents a fertile ground for the development of innovative therapeutic approaches. Its key role in the synthesis of crucial amino acids signifies its potential impact on disease treatment and prevention strategies.

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