Focused On-demand Library for Procollagen galactosyltransferase 1

Details

Focused On-demand Libraries - Receptor.AI 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 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 screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
Q8NBJ5

UPID:
GT251_HUMAN

ALTERNATIVE NAMES:
Collagen beta(1-O)galactosyltransferase 1; Glycosyltransferase 25 family member 1; Hydroxylysine galactosyltransferase 1

ALTERNATIVE UPACC:
Q8NBJ5; Q8NC64

BACKGROUND:
Procollagen galactosyltransferase 1, identified by its involvement in collagen glycosylation, is essential for the stability and assembly of collagen fibers. By acting on hydroxylysine residues of type I and IV collagen, it ensures proper collagen maturation, crucial for tissue repair and integrity. Alternative names include Glycosyltransferase 25 family member 1 and Hydroxylysine galactosyltransferase 1.

THERAPEUTIC SIGNIFICANCE:
Given its pivotal role in the pathogenesis of Brain small vessel disease 3, a disorder marked by vascular defects and severe neurological outcomes, Procollagen galactosyltransferase 1 represents a promising target for therapeutic intervention. Exploring its function and regulation could lead to novel treatments for this and potentially other collagen-related disorders.

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