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.

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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's 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.