Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

A QSAR study on renin inhibitors.

S P Gupta1, J K Gupta, A N Nagappa

  • 1Birla Institute of Technology and Science, Pilani, India.

Drug Design and Delivery
|December 1, 1989
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Whole-genome sequencing reveals a large deletion in the MITF gene in horses with white spotted coat colour and increased risk of deafness.

Animal genetics·2019
Same author

Comprehensive characterization of horse genome variation by whole-genome sequencing of 88 horses.

Animal genetics·2018
Same author

A non-coding regulatory variant in the 5'-region of the MITF gene is associated with white-spotted coat in Brown Swiss cattle.

Animal genetics·2018
Same author

A second KRT71 allele in curly coated dogs.

Animal genetics·2018
Same author

Essential anatomy: why anatomical words matter when it comes to subdermal implants.

BMJ sexual & reproductive health·2018
Same author

Genome-wide association study and heritability estimate for ectopic ureters in Entlebucher mountain dogs.

Animal genetics·2018

This study explored quantitative structure-activity relationships for peptide analogues targeting angiotensinogen. Renin inhibitor activity strongly correlated with molecular connectivity and weight, not hydrophobicity, suggesting dispersion forces dominate interactions.

Area of Science:

  • Medicinal Chemistry
  • Computational Chemistry
  • Pharmacology

Background:

  • Angiotensinogen is a key component in the renin-angiotensin system.
  • Renin inhibitors are crucial for managing hypertension.
  • Understanding structure-activity relationships guides drug design.

Purpose of the Study:

  • To investigate quantitative structure-activity relationships (QSAR) of chain-modified peptide analogues.
  • To identify key molecular descriptors influencing renin inhibitor activity.

Main Methods:

  • QSAR analysis was performed on a series of peptide analogues.
  • Molecular descriptors including Kier's first-order valence molecular connectivity index (1 chi v), molecular weight (MW), van der Waals volume (Vw), and hydrophobicity (log P) were assessed.

Related Experiment Videos

  • Correlation analysis was used to link descriptors to biological activity.

    • Main Results:

    • Renin inhibitor activity showed significant correlation with 1 chi v and MW.
    • Activity showed weaker correlation with Vw and no correlation with log P.
    • These findings indicate dispersion interactions are critical.

    Conclusions:

    • Molecular weight and connectivity are primary drivers of activity for these renin inhibitors.
    • Hydrophobicity plays a minimal role in the interaction between inhibitors and the enzyme.
    • Dispersion forces are suggested to be the dominant interaction mechanism.