Focused On-demand Library for Protein O-glucosyltransferase 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.