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

Focused On-demand Libraries - Reaxense 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 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 our associate 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P46977

UPID:

STT3A_HUMAN

Alternative names:

B5; Integral membrane protein 1; Transmembrane protein TMC

Alternative UPACC:

P46977; B4DJ24; E9PNQ1; Q86XU9; Q8TE35; Q8WUB4

Background:

Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A, also known as B5, Integral membrane protein 1, and Transmembrane protein TMC, plays a pivotal role in protein N-glycosylation. It acts as the catalytic subunit of the oligosaccharyl transferase (OST) complex, facilitating the transfer of glycan to nascent polypeptide chains within the endoplasmic reticulum. This process is essential for proper protein folding and function.

Therapeutic significance:

STT3A's involvement in congenital disorders of glycosylation, including both autosomal recessive and dominant forms, underscores its clinical importance. These disorders manifest in a wide array of symptoms, from developmental defects to immunodeficiency, highlighting the protein's potential as a target for therapeutic intervention.