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 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q9H832

UPID:
UBE2Z_HUMAN

ALTERNATIVE NAMES:
E2 ubiquitin-conjugating enzyme Z; Uba6-specific E2 conjugating enzyme 1; Ubiquitin carrier protein Z; Ubiquitin-protein ligase Z

ALTERNATIVE UPACC:
Q9H832; A6N8M6; A6NC60; Q7L354; Q8TCM4; Q9H893

BACKGROUND:
The Ubiquitin-conjugating enzyme E2 Z, known for its alternative names such as E2 ubiquitin-conjugating enzyme Z, Uba6-specific E2 conjugating enzyme 1, Ubiquitin carrier protein Z, and Ubiquitin-protein ligase Z, is integral to the ubiquitin-proteasome pathway. It specifically catalyzes the attachment of ubiquitin to substrates for UBA6, playing a unique role not replicated by UBE1. Its involvement in apoptosis regulation underscores its potential impact on cell survival and death mechanisms.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Ubiquitin-conjugating enzyme E2 Z unveils new avenues for drug discovery and therapeutic intervention.

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