Focused On-demand Library for UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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 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

O15294

UPID:

OGT1_HUMAN

Alternative names:

O-GlcNAc transferase subunit p110; O-linked N-acetylglucosamine transferase 110 kDa subunit

Alternative UPACC:

O15294; Q7Z3K0; Q8WWM8; Q96CC1; Q9UG57

Background:

The UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, also known as O-GlcNAc transferase subunit p110, plays a pivotal role in cellular processes by catalyzing the transfer of N-acetylglucosamine to serine or threonine residues on proteins. This modification affects a wide array of proteins, including histone H2B and insulin signaling components, thereby influencing gene expression, insulin resistance, and glycolysis.

Therapeutic significance:

Given its involvement in Intellectual developmental disorder, X-linked 106, and its role in insulin resistance and cellular signaling pathways, targeting the O-GlcNAc transferase subunit p110 presents a promising avenue for therapeutic intervention in metabolic disorders and intellectual disabilities.