Focused On-demand Library for Protein O-glucosyltransferase 1

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening 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 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

Q8NBL1

UPID:

PGLT1_HUMAN

Alternative names:

CAP10-like 46 kDa protein; KTEL motif-containing protein 1; Myelodysplastic syndromes relative protein; O-glucosyltransferase Rumi homolog; Protein O-xylosyltransferase POGLUT1

Alternative UPACC:

Q8NBL1; B2RD13; Q53GJ4; Q8N2T1

Background:

Protein O-glucosyltransferase 1, also known as POGLUT1, plays a pivotal role in cellular processes by catalyzing the transfer of glucose and xylose to serine residues in specific consensus sequences. This enzyme targets extracellular EGF repeats in proteins such as CRB2, F7, F9, and NOTCH2, thereby acting as a crucial regulator of Notch signaling, which is essential for muscle development and early developmental processes like gastrulation.

Therapeutic significance:

POGLUT1's involvement in Dowling-Degos disease 4 and limb-girdle muscular dystrophy autosomal recessive 21 highlights its potential as a therapeutic target. Understanding the role of POGLUT1 could open doors to potential therapeutic strategies for these genetic disorders, offering hope for advancements in treatment options.