Focused On-demand Library for EGF domain-specific O-linked N-acetylglucosamine transferase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 our partner Reaxense.

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 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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q5NDL2

UPID:

EOGT_HUMAN

Alternative names:

Extracellular O-linked N-acetylglucosamine transferase

Alternative UPACC:

Q5NDL2; A8K2U1; B4DFH5; L7X1M5; Q6MZY0; Q6P985; Q6ZTV0

Background:

The EGF domain-specific O-linked N-acetylglucosamine transferase, also known as Extracellular O-linked N-acetylglucosamine transferase, plays a pivotal role in protein modification. It catalyzes the transfer of N-acetylglucosamine to serine or threonine residues in extracellular proteins, enhancing their function through O-GlcNAc linkage. This modification occurs specifically between the fifth and sixth conserved cysteines of folded EGF-like domains.

Therapeutic significance:

Linked to Adams-Oliver syndrome 4, a condition marked by congenital skin absence and limb defects, this protein's gene variants highlight its critical role in human health. Understanding the role of EGF domain-specific O-linked N-acetylglucosamine transferase could open doors to potential therapeutic strategies for managing and treating this syndrome.