Focused On-demand Library for Procollagen-lysine,2-oxoglutarate 5-dioxygenase 1

Details

Focused On-demand Libraries - Receptor.AI 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.


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.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q02809

UPID:
PLOD1_HUMAN

ALTERNATIVE NAMES:
Lysyl hydroxylase 1

ALTERNATIVE UPACC:
Q02809; B4DR87; Q96AV9; Q9H132

BACKGROUND:
Lysyl hydroxylase 1, integral to collagen biosynthesis, is part of a complex essential for the hydroxylation of lysine residues in collagen alpha chains. This enzymatic action is pivotal for the proper assembly and cross-linking of collagen fibrils, facilitating the formation of hydroxylysine residues that serve as attachment sites for carbohydrate units, crucial for collagen stability.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the pathogenesis of Ehlers-Danlos syndrome, kyphoscoliotic type, 1, Lysyl hydroxylase 1 represents a promising target for developing novel treatments. The disease's manifestations, including muscle hypotonia and joint laxity, underscore the importance of this protein in maintaining connective tissue integrity. Exploring the function of Lysyl hydroxylase 1 could lead to breakthroughs in therapeutic approaches for hereditary connective tissue diseases.

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