Focused On-demand Library for Prolyl 3-hydroxylase 1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. 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 employ our advanced, specialised process to create targeted 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.


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
Q32P28

UPID:
P3H1_HUMAN

ALTERNATIVE NAMES:
Growth suppressor 1; Leucine- and proline-enriched proteoglycan 1

ALTERNATIVE UPACC:
Q32P28; Q7KZR4; Q96BR8; Q96SK8; Q96SL5; Q96SN3; Q9H6K3; Q9HC86; Q9HC87

BACKGROUND:
The enzyme Prolyl 3-hydroxylase 1, known for its roles as Growth suppressor 1 and Leucine- and proline-enriched proteoglycan 1, is crucial in the hydroxylation of proline residues in collagens. This post-translational modification is vital for the stability and function of collagen molecules, which form the structural framework of various tissues. Its activity is particularly significant in types IV and V collagens, found in the basement membrane and implicated in cell growth suppression and secretory processes.

THERAPEUTIC SIGNIFICANCE:
Mutations in Prolyl 3-hydroxylase 1 have been identified as causative factors in Osteogenesis imperfecta 8, highlighting its critical role in connective tissue health. This condition, marked by bone fragility and a range of skeletal deformities, underscores the enzyme's importance in collagen maturation and structural integrity. Exploring Prolyl 3-hydroxylase 1's function and its genetic variations can provide valuable insights into the development of therapeutic interventions for connective tissue disorders.

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