Focused On-demand Library for Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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

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
P46977

UPID:
STT3A_HUMAN

ALTERNATIVE NAMES:
B5; Integral membrane protein 1; Transmembrane protein TMC

ALTERNATIVE UPACC:
P46977; B4DJ24; E9PNQ1; Q86XU9; Q8TE35; Q8WUB4

BACKGROUND:
The protein STT3A, known alternatively as B5, Integral membrane protein 1, and Transmembrane protein TMC, is crucial for the N-glycosylation of proteins, a process vital for their stability and function. It is a key component of the OST complex, responsible for adding glycans to proteins as they are synthesized in the endoplasmic reticulum.

THERAPEUTIC SIGNIFICANCE:
Given STT3A's role in the pathogenesis of congenital disorders of glycosylation, understanding its function could pave the way for novel therapeutic strategies. These disorders present a broad spectrum of clinical features, making STT3A a significant target for drug discovery efforts aimed at alleviating these multifaceted conditions.

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